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Shanghai Pharmlead Inc.

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Profile: Shanghai Pharmlead Inc. specializes in developing, manufacturing and marketing of fine chemicals for research, biopharmaceutical & daily chemical industries. Our products include heterocyclics, boronic acid, benzene substitutions, sulfonyl chloride, carboxylic acid and thiocyanate. Boronic acid includes phenylboronic acid, 2,4-dichlorophenylboronic acid, 2-methoxyphenylboronic acid, 4-cyanophenylboronic acid, 2-fluoro-6-methoxyphenylboronic acid, 2,3-dimethoxyphenylboronic acid and 2-methoxycarbonylphenylboronic acid. Carboxylic acid includes 2,3-diaminopropanoic acid, 2,5-dichlorobenzoic acid, 4-butylbenzoic acid, 4-(pentyloxy)benzoic acid and 1-naphthalene acetic acid.

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• Aminoacetaldehyde Dimethyl Acetal
IUPAC Name: 2,2-dimethoxyethanamine | CAS Registry Number: 22483-09-6
Synonyms: 2,2-Dimethoxyethylamine, Aminoacetaldehyde dimethyl acetal, 2,2-Dimethoxyethanamine, Ethanamine, 2,2-dimethoxy-, DIMETHYLAMINOACETAL, 121967_ALDRICH, CID89728, NSC73701, EINECS 245-026-5, NSC 73701, Acetaldehyde, amino-, dimethyl acetal, SB 01204, Acetaldehyde, amino-, dimethyl acetal (8CI), A-4900, InChI=1/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H

Molecular Formula: C4H11NO2Molecular Weight: 105.135640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QKWWDTYDYOFRJL-UHFFFAOYSA-N

• Barium Hydroxide Octahydrate
IUPAC Name: barium(2+);dihydroxide;octahydrate | CAS Registry Number: 12230-71-6
Synonyms: Barium hydroxide octahydrate, Dihydroxybarium octahydrate, ACMC-1AN7P, UNII-L5Q5V03TBN, Barium dihydroxide octahydrate, BARIUM HYDROXIDE, ACS, Barium hydroxide, octahydrate, KSC174Q7B, CTK0H4870, Barium hydroxide octahydrate [MI], barium(2+) octahydrate bis(OH-), AKOS015855238, AG-C-92863, AG-D-48424, RL01012, Barium hydroxide (Ba(OH)2), octahydrate, I14-16518, Bariumhydroxide, octahydrate (8CI);Barium dihydroxide octahydrate;Dihydroxybariumoctahydrate;Bariumhydroxide (Ba(OH)2), octahydrate (9CI);

Molecular Formula: BaH18O10Molecular Weight: 315.463920 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 10

InChIKey: ZUDYPQRUOYEARG-UHFFFAOYSA-L

• Benzophenone imine
IUPAC Name: di(phenyl)methanimine | CAS Registry Number: 1013-88-3
Synonyms: Diphenylmethanimine, Oprea1_372891, Oprea1_617070, ARONIS000349, Benzenemethanimine, .alpha.-phenyl-, Benzenemethanimine, alpha-phenyl-, 293733_SIAL, ZINC01095290, ST5307507, TL8000092

Molecular Formula: C13H11NMolecular Weight: 181.233140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SXZIXHOMFPUIRK-UHFFFAOYSA-N

• Boc-3-aminobenzoic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate | CAS Registry Number: 111331-82-9
Synonyms: ZINC00404740, CID6951350

Molecular Formula: C12H14NO4-Molecular Weight: 236.243860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SAPAUOFSCLCQJB-UHFFFAOYSA-M

• Camphor Sulphonic Acid
IUPAC Name: [(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid | CAS Registry Number: 35963-20-3
Synonyms: R-(10)-Camphorsulfonic Acid, EINECS 252-817-9, TL806102, (1R)-(7,7-Dimethyl-2-oxobicyclo(2.2.1)hept-1-yl)methanesulphonic acid

Molecular Formula: C10H16O4SMolecular Weight: 232.296640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIOPJNTWMNEORI-MHPPCMCBSA-N

• Ciprofloxacin
IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid | CAS Registry Number: 85721-33-1
Synonyms: ciprofloxacin, Ciprofloxacina, Ciprobay, Ciproxan, Cipro, Ciprocinol, Cipromycin, Ciproquinol, Bacquinor, Bernoflox, Cifloxin, Ciprodar, Ciproflox, Ciprogis, Ciprolin, Ciprolon, Ciprowin, Ciproxina, Ciproxine, Citopcin

Molecular Formula: C17H18FN3O3Molecular Weight: 331.341523 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: MYSWGUAQZAJSOK-UHFFFAOYSA-N

• D-(+)-Camphor Sulphonic Acid
IUPAC Name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid | CAS Registry Number: 3144-16-9
Synonyms: d-Camphorsulfonic acid, 282146_ALDRICH, (1R)-Camphor-10-sulfonic acid, (−)-Camphor-10-sulfonic acid, (1R)-(−)-10-Camphorsulfonic acid, (1R)-(−)-Camphor-10-sulfonic acid

Molecular Formula: C10H16O4SMolecular Weight: 232.296640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIOPJNTWMNEORI-XVKPBYJWSA-N

• Ethanone, 1-(3-hydroxy-4-nitrophenyl)-
IUPAC Name: 1-(3-hydroxy-4-nitrophenyl)ethanone | CAS Registry Number: 89942-63-2
Synonyms: 1-(3-HYDROXY-4-NITROPHENYL)ETHANONE, ST51035793, ACMC-20aals, SureCN4305881, CTK3E6306, 1-acetyl-3-hydroxy-4-nitrobenzene, ANW-64670, ZINC16321909, AKOS016007051, AG-H-67640, AK103574, KB-213881, Acetophenone, 3'-hydroxy-4'-nitro- (7CI);3-hydroxy-4-nitrophenylethanone;

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHGMRIVCXMLBNA-UHFFFAOYSA-N

• Ethyl 4-Chloro Acetoacetate
IUPAC Name: ethyl 4-chloro-3-oxobutanoate | CAS Registry Number: 638-07-3
Synonyms: Ethyl 4-chloroacetoacetate, Ethyl gamma-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, CCRIS 6791, ghl.PD_Mitscher_leg0.842, 180769_ALDRICH, 22813_FLUKA, EINECS 211-317-0, Butanoic acid, 4-chloro-3-oxo-, ethyl ester, BRN 1761275, ZINC01845882, Acetoacetic acid, 4-chloro-, ethyl ester, LS-13047, ST5214458, TL8004494, 4-03-00-01550 (Beilstein Handbook Reference)

Molecular Formula: C6H9ClO3Molecular Weight: 164.586860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N

• Ethyl Benzoylacetate
IUPAC Name: ethyl 3-oxo-3-phenylpropanoate | CAS Registry Number: 94-02-0
Synonyms: ETHYL BENZOYLACETATE, Ethyl benzoyl acetate, Ethyl 3-oxo-3-phenylpropanoate, Benzoylacetic acid ethyl ester, Ethyl beta-oxobenzenepropanoate, FEMA No. 2423, Ethyl 3-phenyl-3-oxopropanoate, Acetic acid, benzoyl-, ethyl ester, W242306_ALDRICH, 281492_ALDRICH, Benzoylacetic acid, ethyl ester, Ethyl 3-oxo-3-phenylpropionate, 12980_FLUKA, 12990_FLUKA, EINECS 202-295-3, NSC6774, 1-Ethoxy-3-phenylpropane-1,3-dione, NSC 227214, ALBB-010188, BRN 0389944

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N

• Ethyl N-Benzyl-3-Ketopiperidine-4-Carboxylate
IUPAC Name: ethyl 3-oxo-1-(phenylmethyl)piperidine-4-carboxylate | CAS Registry Number: 39514-19-7
Synonyms: BTBG 00139, ALBB-009330, EINECS 254-482-4, EINECS 258-162-5, SDCCGMLS-0065899.P001, Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate, TL8002853, SR-01000641956-1, 1-Benzyl-3-oxo-piperidine-4-carboxylic acid ethyl ester, Ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride, 52763-21-0

Molecular Formula: C15H19NO3Molecular Weight: 261.316260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JYFGIESQUYQLGM-UHFFFAOYSA-N

• Ethyl-2-(2-Aminothiazole-4-Yl) Acetate
IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate | CAS Registry Number: 53266-94-7
Synonyms: Maybridge3_006161, Oprea1_589016, Ethyl 2-aminothiazole-4-acetate, MLS000521344, 220558_ALDRICH, Ethyl 2-aminothiazol-4-acetate, 09486_FLUKA, Ethyl 2-amino-4-thiazoleacetate, ZINC00035856, ALBB-001556, EINECS 258-452-1, CID104454, SBB000258, Ethyl (2-amino-1,3-thiazol-4-yl)acetate, IDI1_017548, SMR000131752, EU-0066637, AB-601/30963022, SR-01000597199-2

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N

• Glycine Methylester Hydrochloride
IUPAC Name: methyl 2-aminoacetate hydrochloride | CAS Registry Number: 5680-79-5
Synonyms: G6600_ALDRICH, Methyl glycinate hydrochloride, Glycine methyl ester hydrochloride, Glycine, methyl ester, hydrochloride, NSC9229, AIDS018647, AIDS-018647, EINECS 227-139-1, TL806416, AI3-28814, LS-191674, G-4700, T5300353, 616-34-2

Molecular Formula: C3H8ClNO2Molecular Weight: 125.554120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: COQRGFWWJBEXRC-UHFFFAOYSA-N

• Isonipecotic Acid Ethyl Ester
IUPAC Name: ethyl piperidine-4-carboxylate | CAS Registry Number: 1126-09-6
Synonyms: Ethyl isonipecotate, Ethyl 4-piperidinecarboxylate, Ethyl piperidine-4-carboxylate, Oprea1_864652, E33505_ALDRICH, CID70770, NSC93792, EINECS 214-416-7, SBB004006, SDCCGMLS-0066232.P001, FS000817, TL8000364

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N

• Methyl 3-(4-methoxyphenyl)-3-oxopropionate
IUPAC Name: methyl 3-(4-methoxyphenyl)-2-oxopropanoate | CAS Registry Number: 22027-50-5
Synonyms: Methyl 4-methoxybenzoyl acetate,, EINECS 244-732-0, Methyl 3-(p-methoxyphenyl)-3-oxopropionate, TL8001828, 3-(4-Methoxyphenyl)-3-oxopropanoic acid, methyl ester, Benzenepropanoic acid, 4-methoxy-beta-oxo-, methyl ester

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YFKAHHRRSJDIOX-UHFFFAOYSA-N

• Methyl 4-Methoxyacetoacetate
IUPAC Name: methyl 4-methoxy-3-oxobutanoate | CAS Registry Number: 41051-15-4
Synonyms: Methyl 4-methoxyacetoacetate, Methyl methoxyacetoacetate, 281506_ALDRICH, Methyl 4-methoxy-3-oxobutyrate, BB_SC-5537, EINECS 255-188-9, CID123500, ZINC02539320, Butanoic acid, 4-methoxy-3-oxo-, methyl ester

Molecular Formula: C6H10O4Molecular Weight: 146.141200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QGBPKJFJAVDUNC-UHFFFAOYSA-N

• N-Acetylglycine
IUPAC Name: 2-acetamidoacetic acid | CAS Registry Number: 543-24-8
Synonyms: Aceturic acid, Acetamidoacetic acid, Glycine, N-acetyl-, Acetylglycocoll, Acetylglycine, N-ACETYLGLYCINE, Acetylaminoacetic acid, Ethanoylaminoethanoic acid, 2-Acetamidoacetic acid, (acetylamino)acetic acid, 2-acetamido-acetic acid, ACETYLAMINO-ACETIC ACID, A16300_ALDRICH, 01180_FLUKA, NSC7605, AIDS018665, AIDS-018665, CID10972, NSC 7605, EINECS 208-839-6

Molecular Formula: C4H7NO3Molecular Weight: 117.103280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N

• N-Boc-4-Amino Piperidine
IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium | CAS Registry Number: 87120-72-7
Synonyms: ZINC04202304, CID7128317

Molecular Formula: C10H21N2O2+Molecular Weight: 201.285940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LZRDHSFPLUWYAX-UHFFFAOYSA-O

• tert-butyl 2-hydrazinyl-2-oxoethylcarbamate
IUPAC Name: tert-butyl N-(2-hydrazinyl-2-oxoethyl)carbamate | CAS Registry Number: 6926-09-6
Synonyms: Boc-Glycine hydrazide, Butoxycarbonylglycine hydrazide, N-tert-butoxycarbonylglycylhydrazide, Hydrazinocarbonylmethyl-carbamic acid tert-butyl ester, tert-butyl (2-hydrazinyl-2-oxoethyl)carbamate, tert-butyl N-[(hydrazinecarbonyl)methyl]carbamate, (tert-butoxy)-N-(???methyl)carboxamide, ZINC02381196, PubChem16303, AC1MC3RS, CTK7F1150, N-TERT-BOC-GLYCYLHYDRAZIDE, MolPort-001-761-309, ANW-50258, AR2579, OR2444, SBB090957, AKOS000649532, AB09269, AG-C-18843

Molecular Formula: C7H15N3O3Molecular Weight: 189.212300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MQBASTZLTYLEON-UHFFFAOYSA-N

• tert-Butyl 4-carbamimidoylpiperazine-1-carboxylate
IUPAC Name: tert-butyl 4-carbamimidoylpiperazine-1-carboxylate | CAS Registry Number: 153836-14-7
Synonyms: TERT-BUTYL 4-CARBAMIMIDOYLPIPERAZINE-1-CARBOXYLATE, 4-Carbamimidoyl-piperazine-1-carboxylic acid tert-butyl ester, SureCN3767366, KSC496A7D, AGN-PC-0045E6, CTK3J6071, ANW-64674, AKOS015899522, AG-E-01614, AK103570, KB-121646, AM20080392, I14-11811

Molecular Formula: C10H20N4O2Molecular Weight: 228.291400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MJNAHJKRZWPBSX-UHFFFAOYSA-N

• Triethyl Orthoformate
IUPAC Name: diethoxymethoxyethane | CAS Registry Number: 122-51-0
Synonyms: Triethoxymethane, Aethon, Ethone, Triethyl orthoformate, ETHYL ORTHOFORMATE, Methane, triethoxy-, Ethyl formate(ortho), diethoxy-methoxy-ethane, Orthomravencan ethylnaty, 1,1,1-Triethoxymethane, Orthoformic acid triethyl ester, Orthoformic acid, ethyl ester, Orthoformic acid, triethyl ester, Orthoformic acid ethyl ester, T60453_ALDRICH, Orthomravencan ethylnaty [Czech], Ethylester kyseliny orthomravenci, NSC 5289, Orthoformic acid ethyl ester (VAN), WLN: 2OYO2 & O2

Molecular Formula: C7H16O3Molecular Weight: 148.200140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKASDNZWUGIAMG-UHFFFAOYSA-N

• Triflic Anhydride
IUPAC Name: trifluoromethylsulfonyl trifluoromethanesulfonate | CAS Registry Number: 358-23-6
Synonyms: Triflic anhydride, Trifluoromethanesulfonic anhydride, 176176_ALDRICH, 91737_FLUKA, CHEBI:48509, Trifluoromethanesulphonic anhydride, EINECS 206-616-8, Methanesulfonic acid, trifluoro-, anhydride, LS-192058, 1,1,1-trifluoromethanesulfonic acid 1,1'-anhydride, 93916-16-6

Molecular Formula: C2F6O5S2Molecular Weight: 282.138819 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: WJKHJLXJJJATHN-UHFFFAOYSA-N

• Trioxane
IUPAC Name: 1,3,5-trioxane | CAS Registry Number: 110-88-3
Synonyms: s-Trioxane, Trioxymethylene, Formagene, Triformol, Aldeform, Marvosan, Trioxan, Metaformaldehyde, Paraformaldehyde, Polyoxymethylene, s-Trixane, Trioxin, sym-Trioxane, Formaldehyde, trimer, Triossimetilene, Trioxymethyleen, Trioxymethylen, Paraformal, Paraform, 1,3,5-TRIOXANE

Molecular Formula: C3H6O3Molecular Weight: 90.077940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BGJSXRVXTHVRSN-UHFFFAOYSA-N

• 3-(3-Nitro-phenyl)-3-oxo-propionic acid ethyl ester
IUPAC Name: ethyl 3-(3-nitrophenyl)-3-oxopropanoate | CAS Registry Number: 52119-38-7
Synonyms: Maybridge1_001967, Ethyl 3-nitrobenzoylacetate, Oprea1_534287, 387444_ALDRICH, ZINC00133327, EINECS 257-670-4, CID104078, Ethyl 3-(m-nitrophenyl)-3-oxopropionate, ST5319656, SR-01000644780-1

Molecular Formula: C11H11NO5Molecular Weight: 237.208740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DSOJMGUVLXTQSE-UHFFFAOYSA-N

• 4-Aminoisoquinoline
IUPAC Name: isoquinolin-4-amine | CAS Registry Number: 23687-25-4
Synonyms: 4-Isoquinolinamine, 4-Isoquinolylamine, isoquinolin-4-amine, isoquinolin-4-ylamine, Isoquinoline, 4-amino-, EINECS 245-823-8, NSC170840, AE-842/31875006, InChI=1/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISIUXVGHQFJYHM-UHFFFAOYSA-N

• 3-Nitrobenzenesulfonamide
IUPAC Name: 3-nitrobenzenesulfonamide | CAS Registry Number: 121-52-8
Synonyms: m-Nitrobenzenesulfonamide, 3-Nitrobenzolesulfamide, Benzenesulfonamide, 3-nitro-, m-Nitrobenzenesulphonamide, Benzenesulfonamide, m-nitro-, 296422_ALDRICH, CID67138, EINECS 204-477-8, Benzenesulfonamide, m-nitro- (8CI), NSC227921, NSC407487, ZINC04262218, NSC 407487, AI3-50018, T0517-6240

Molecular Formula: C6H6N2O4SMolecular Weight: 202.187840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: TXTQURPQLVHJRE-UHFFFAOYSA-N

• 6-(Trifluoromethoxy)-4-quinolinol
IUPAC Name: 6-(trifluoromethoxy)-1H-quinolin-4-one | CAS Registry Number: 175203-87-9
Synonyms: 6-(trifluoromethoxy)quinolin-4-ol, 6-Trifluoromethoxy-quinolin-4-ol, AG-E-25289, 4-hydroxy-6-(trifluoromethoxy)quinoline, Maybridge3_003905, AC1MCPZF, SureCN2208967, SureCN3702216, MLS000850612, CTK4D5570, MolPort-000-158-976, HMS1442B11, HMS2804P20, 4-Quinolinol,6-(trifluoromethoxy)-, 4-hydroxy-6-trifluoromethoxyquinoline, ANW-47609, SBB097409, ZINC15923741, AKOS009158767, AKOS015856487

Molecular Formula: C10H6F3NO2Molecular Weight: 229.155350 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: LFCAVZDSLWEEOX-UHFFFAOYSA-N

• 3-Propionylpyridine
IUPAC Name: 1-pyridin-3-ylpropan-1-one | CAS Registry Number: 1570-48-5
Synonyms: 3-Pyridyl ethyl ketone, 1-(3-Pyridyl)propan-1-one, 1-Propanone, 1-(3-pyridyl)-, ZINC01995302, CID74074, EINECS 216-380-8, 1-PROPANONE, 1-(3-PYRIDINYL)-

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VDNKJMUNLKAGAM-UHFFFAOYSA-N

• 2-Cyano-4-Nitroaniline
IUPAC Name: 2-amino-5-nitrobenzonitrile | CAS Registry Number: 17420-30-3
Synonyms: 2-Amino-5-nitrobenzonitrile, 5-Nitroanthranilonitrile, 2-Cyano-4-nitroaniline, Benzonitrile, 2-amino-5-nitro-, Anthranilonitrile, 5-nitro-, 2-Kyan-4-nitroanilin [Czech], 153494_ALDRICH, CCRIS 9092, EINECS 241-446-8, ANILINE, 2-CYANO-4-NITRO-, BRN 1425714, ZINC03861189, Anthranilonitrile, 5-nitro- (6CI,8CI), LS-19683, ST5165317, 3-14-00-00980 (Beilstein Handbook Reference), InChI=1/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H

Molecular Formula: C7H5N3O2Molecular Weight: 163.133500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MGCGMYPNXAFGFA-UHFFFAOYSA-N

• 2-Fluoro-4-Nitrobenzoic acid
IUPAC Name: 2-fluoro-4-nitrobenzoic acid | CAS Registry Number: 403-24-7
Synonyms: NSC190361, CID302679, ST5408285

Molecular Formula: C7H4FNO4Molecular Weight: 185.109363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MMWFMFZFCKADEL-UHFFFAOYSA-N

• 1-Boc-Isonipecotic Acid Hydrazide
IUPAC Name: tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate | CAS Registry Number: 187834-88-4
Synonyms: 1-Boc-Isonipecotic acid hydrazide, 1-Boc-IsonipecoticAcidHydrazide, 1-(tert-Butoxycarbonyl)piperidine-4-carbohydrazide, 1-Boc-piperidine-4-carboxylhydrazide, tert-butyl 4-(hydrazinocarbonyl)piperidine-1-carboxylate, Isonipecotic acid hydrazide, N1-BOC protected, 4-(Hydrazinocarbonyl)piperidine, N1-BOC protected, tert-butyl 4-(hydrazinecarbonyl)piperidine-1-carboxylate, tert-butyl 4-(hydrazinylcarbonyl)piperidine-1-carboxylate, tert-butyl 4-???piperidinecarboxylate, PubChem20993, SureCN315026, KSC539M2P, CTK4D9627, MolPort-001-757-782, ANW-74746, BBL005317, SBB099731, STL134731, ZINC08730120

Molecular Formula: C11H21N3O3Molecular Weight: 243.302740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JLIKTOWFNQDEME-UHFFFAOYSA-N

• 4-Hydroxy-6,7-dimethoxyquinoline
IUPAC Name: 6,7-dimethoxy-1H-quinolin-4-one | CAS Registry Number: 13425-93-9
Synonyms: 6,7-dimethoxyquinolin-4-ol, 6,7-dimethoxyquinolin-4(1H)-one, 4-HYDROXY-6,7-DIMETHOXYQUINOLINE, 4-Hydroxy-6,7-dimethoxyqunioline, 6,7-Dimethoxy-4-quinolinol, 127285-54-5, 6,7-Dimethoxy-4-hydroxyquinoline, KUC100214, MLS000517797, 4(1H)-Quinolinone,6,7-dimethoxy-, AG-D-56924, AG-D-69862, PubChem16184, ACMC-209bub, ACMC-20mse1, AC1LA0UD, SureCN165285, SureCN372048, 6,7-dimethoxy-4-quinolone, KSC519A7F

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-N

• 6-Nitro-3-carboxaldehyde
IUPAC Name: 6-nitro-2H-indazole-3-carbaldehyde | CAS Registry Number: 315203-37-3
Synonyms: 6-Nitro-1H-indazole-3-carbaldehyde, 6-Nitro indazole-3-carboxaldehyde, 6-Nitro-1H-indazole-3-carboxaldehyde, 1H-INDAZOLE-3-CARBOXALDEHYDE, 6-NITRO-, 6-nitroindazole-3-carbaldehyde, CTK4G7270, MolPort-005-934-835, 6-nitro-2H-indazole-3-carbaldehyde, ANW-60808, ZINC14984575, 6-nitro-2H-indazole-3-carboxaldehyde, AKOS006229935, AB13232, AC-5305, AG-F-05126, AM81171, 1H-Indazole-3-carboxaldehyde,6-nitro-, AK-79438, KB-45843, FT-0644410

Molecular Formula: C8H5N3O3Molecular Weight: 191.143600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UYPSMSUYMARCRX-UHFFFAOYSA-N

• 2-(4-Aminophenoxy)acetic Acid
IUPAC Name: 2-(4-aminophenoxy)acetic acid | CAS Registry Number: 2298-36-4
Synonyms: (4-Aminophenoxy)acetic acid, ChemDiv2_003232, (p-Aminophenoxy)acetic acid, Oprea1_812941, Acetic acid, (4-aminophenoxy)-, Acetic acid, (p-aminophenoxy)-, NIOSH/AF3520000, ZERO/001282, ALBB-008749, CID95797, NSC36983, EINECS 218-947-5, STK500580, LS-10980, AF3520000, M B 2754

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GIFGMEWQGDEWKB-UHFFFAOYSA-N

• 5-Methyl-2-nitroaniline
IUPAC Name: 5-methyl-2-nitroaniline | CAS Registry Number: 578-46-1
Synonyms: 6-Nitro-m-toluidine, 5-Methyl-o-nitroaniline, m-Toluidine, 6-nitro-, 3-AMINO-4-NITROTOLUENE, Benzenamine, 3-methyl-6-nitro-, 261661_ALDRICH, Benzenamine, 5-methyl-2-nitro-, EINECS 209-423-7, NSC 28586, NSC28586, BRN 2691416, NSC404025, ZINC04520851, LS-1407, NCGC00091413-01, 4-12-00-01861 (Beilstein Handbook Reference)

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IGDYNWKWXUCIJB-UHFFFAOYSA-N

• 2-Hydroxy-5-trifluoromethylpyridine
IUPAC Name: 5-(trifluoromethyl)-1H-pyridin-2-one | CAS Registry Number: 33252-63-0
Synonyms: Maybridge1_006426, 2H-5TFMP, TPC-PY072, 442801_ALDRICH, 5-(Trifluoromethyl)-2-pyridinol, 2-Hydroxy-5-(trifluoromethyl)pyridine, ZINC00078089, 2-Hydroxy-5-Trifluoromethyl Pyridine, 5-(Trifluoromethyl)-2(1H)-pyridinone, 2(1H)-Pyridinone, 5-(trifluoromethyl)-, ST5407040, SR-01000639040-1

Molecular Formula: C6H4F3NOMolecular Weight: 163.097270 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N

• 3-Amino-2-cyclohexen-1-one
IUPAC Name: 3-aminocyclohex-2-en-1-one | CAS Registry Number: 5220-49-5
Synonyms: 3-Amino-2-cyclohexenone, 3-Aminocyclohex-2-en-1-one, 239372_ALDRICH, 07625_FLUKA, EINECS 226-014-9, NSC106700, ST5410742, TL8003446

Molecular Formula: C6H9NOMolecular Weight: 111.141760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZMRPOAHZITKBV-UHFFFAOYSA-N

• 1,8-Bis(dimethylamino)naphthalene
IUPAC Name: 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine | CAS Registry Number: 20734-58-1
Synonyms: Proton-sponge, Maybridge1_002116, MLS000851090, 158496_ALDRICH, 14795_FLUKA, 1,8-Bis(dimethylamino)naphtalene, EINECS 244-001-6, BTB 09871, ZINC00056476, 1,8-Naphthalenediamine, N,N,N',N'-tetramethyl-, SMR000457333, N,N,N',N'-Tetramethylnaphthalene-1,8-diamine, AI3-62472, N,N,N',N'-Tetramethyl-1,8-naphthalenediamine, N1,N1,N8,N8-tetramethylnaphthalene-1,8-diamine, SR-01000638069-1, InChI=1/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H

Molecular Formula: C14H18N2Molecular Weight: 214.306120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GJFNRSDCSTVPCJ-UHFFFAOYSA-N

• 1-(2-Cyanophenyl)piperazine
IUPAC Name: 2-piperazin-1-ylbenzonitrile | CAS Registry Number: 111373-03-6
Synonyms: 2-piperazin-1-ylbenzonitrile, 567183_ALDRICH, ALBB-006237, ST5408443

Molecular Formula: C11H13N3Molecular Weight: 187.241020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FRICBZWJFIRJOB-UHFFFAOYSA-N

• 3-Indoleacetonitrile
IUPAC Name: 2-(1H-indol-3-yl)acetonitrile | CAS Registry Number: 771-51-7
Synonyms: Indole-3-acetonitrile, Indoleacetonitrile, Indolylacetonitril, Indolylacetonitrile, 3-Indolylacetonitrile, 3-(Cyanomethyl)indole, Indol-3-ylacetonitrile, 3-Indolacetonitrile, 1H-Indole-3-acetonitrile, Acetonitrile, 3-indolyl-, INDOLEYL-CPD, (indol-3-yl)acetonitrile, USAF CB-29, indole-3-ylacetonitrile, (Indole-3-yl)acetonitrile, 1H-Indol-3-ylacetonitrile, (3-Indolyl)acetonitrile, CCRIS 5807, Indole-3-acetonitrile (8CI), WLN: T56 BMJ D1CN

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N

• 2-Amino-4-methylbenzonitrile
IUPAC Name: 2-amino-4-methylbenzonitrile | CAS Registry Number: 26830-96-6
Synonyms: 214280_ALDRICH, ZINC04272117, EINECS 248-020-0, CID2801276, TL 00552, TL80074083, InChI=1/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LGNVAEIITHYWCG-UHFFFAOYSA-N

• 5-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
IUPAC Name: tert-butyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate | CAS Registry Number: 148404-28-8
Synonyms: N-Boc-Hexahydro-5-oxocyclopenta[c]pyrrole, tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate, 146231-54-1, Tert-Butyl5-Oxohexahydrocyclopenta[C]Pyrrole-2(1h)-Carboxylate, SureCN903878, CTK8B6930, MolPort-009-198-494, ANW-54859, AKOS015841304, LS40408, PB13428, RP27594, AK-33361, AK-59449, KB-82604, KB-260807, FT-0649408, 2-BOC-5-OXO-HEXAHYDROCYCLOPENTA[C]PYRROLE, I14-11810, tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2-carboxylate

Molecular Formula: C12H19NO3Molecular Weight: 225.284160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GGNDIMLSSMWKDR-UHFFFAOYSA-N

• 3-Fluoro-4-nitrophenol
IUPAC Name: 3-fluoro-4-nitrophenol | CAS Registry Number: 394-41-2
Synonyms: Phenol, 3-fluoro-4-nitro-, 184128_ALDRICH, EINECS 206-895-6, CID520948, SB 01916, InChI=1/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9

Molecular Formula: C6H4FNO3Molecular Weight: 157.099263 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CSSGKHVRDGATJL-UHFFFAOYSA-N

• 3-Fluorophenacyl bromide
IUPAC Name: 2-bromo-1-(3-fluorophenyl)ethanone | CAS Registry Number: 53631-18-8
Synonyms: 2-Bromo-3'-fluoroacetophenone, 669482_ALDRICH, ZINC00166626, SPB 06322, CID2737451

Molecular Formula: C8H6BrFOMolecular Weight: 217.035043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ITAQNNGDCNFGID-UHFFFAOYSA-N

• 3-methoxy-2-methylbenzoicacid
IUPAC Name: 3-methoxy-2-methylbenzoic acid | CAS Registry Number: 55289-06-0
Synonyms: 3-methoxy-2-methylbenzoic acid, 3-Methoxy-o-toluic Acid, 2-Methyl-m-anisic Acid, 3-Methoxy-2-methylbenzoicacid, SBB064170, PubChem4976, AC1ODVFV, AGN-PC-0CTSJL, ACMC-209lm1, SureCN311839, AC1Q44NS, KSC269C9H, CTK1G9193, 2-METHYL-META-ANISIC ACID, MolPort-001-792-929, BH772, WT035, ACT04231, Benzoic acid, 3-methoxy-2-methyl-, ANW-32279

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JPCISVSOTKMFPG-UHFFFAOYSA-N

• 6-Methoxy-3-pyridinecarboxaldehyde
IUPAC Name: 6-methoxypyridine-3-carbaldehyde | CAS Registry Number: 65873-72-5
Synonyms: Ambad275, 6-Methoxy-3-nicotinaldehyde, 533068_ALDRICH, ZINC02583595, CID3364576

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CTAIEPPAOULMFY-UHFFFAOYSA-N

• 4-Chromanone
IUPAC Name: 2,3-dihydrochromen-4-one | CAS Registry Number: 491-37-2
Synonyms: Chromanone, Chroman-4-one, Isochromanone, 4-Chromone, 2,3-Dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-, 122351_ALDRICH, EINECS 207-736-3, 2,3-Dihydro-1-benzopyran-4-one, NSC174058, ZINC00057736, LS-39537, ST5308045, AB-131/40347218, InChI=1/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H, 1341-36-2

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MSTDXOZUKAQDRL-UHFFFAOYSA-N

• 1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl 3-(2-cyanopropan-2-yl)indole-1-carboxylate | CAS Registry Number: 380626-46-0
Synonyms: tert-butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate, 3-(1-CYANO-1-METHYLETHYL)-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, SureCN1000476, Oprea1_502396, CTK8C2921, MolPort-003-808-482, ACT06530, ANW-69305, AKOS005145962, AK-31948, KB-65258, A15537, I10-0517, 1H-Indole-1-carboxylic acid,3-(1-cyano-1-methylethyl)-,1-(1,1-dimethylethyl)ester

Molecular Formula: C17H20N2O2Molecular Weight: 284.352900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JPUIQGPPVFDFJU-UHFFFAOYSA-N

• 2,3-Diaminopropionic acid
IUPAC Name: 2,3-diaminopropanoic acid | CAS Registry Number: 515-94-6
Synonyms: 3-Aminoalanine, beta-Aminoalanine, 2,3-diaminopropanoate, 2,3-diaminopropanoic acid, 2,3-diaminopropionate, Alanine, 3-amino-, 2,3-diaminopropionic acid, DL-3-Aminoalanine, Diaminopropionic acid, 2-Amino-beta-alanine, DL-Alanine, 3-amino-, DL-2,3-Diaminopropanoic acid, alpha,beta-Diaminopropionic acid, CHEBI:18383, CPD-1782, NSC115849, C06393, 4033-39-0, 6018-54-8

Molecular Formula: C3H8N2O2Molecular Weight: 104.107820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: PECYZEOJVXMISF-UHFFFAOYSA-N

• 5-Chlorobenzosuberane
Synonyms: 5-Chlorodibenzosuberane, C34308_ALDRICH, NSC86154, EINECS 214-910-2, NSC 86154, WLN: L C676&T&J BG, CID14587, BRN 0612280, LS-60691, 5-Chlorodibenzo[a,d]cyclohepta[1,4]diene, 5-Chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene, 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene, 4-05-00-02198 (Beilstein Handbook Reference), 5H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CHLORO-, 5H-Dibenzo[a,d]cycloheptene, 10,11-dihydro-5-chloro-, 5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro- (8CI), 5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro- (8CI)(9CI), InChI=1/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H

Molecular Formula: C15H13ClMolecular Weight: 228.716720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N


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