Shanghai Sochem International Co., Ltd.

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Profile: Shanghai Sochem International Co., Ltd. is a manufacture of dyestuffs, pharmaceutical intermediates, pesticide intermediates, dyestuff intermediates, pigments and speciality chemicals. Our agrochemical & intermediates include 2,4-D isooctyl ester, aluminium phosphide, benzyl chloroformate, bromopropylate, campholenic aldehyde and copper acetate. Our speciality chemicals are photoinitiators, UV absorbers, water treatment chemicals, flame retardants and biochemicals.

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• 3-(1-Piperazinyl)-1,2-benzisothiazole

IUPAC Name: 3-piperazin-1-yl-1,2-benzothiazole | CAS Registry Number: 87691-87-0
Synonyms: 3-(piperazin-1-yl)benzo[d]isothiazole, 3-Piperazin-1-yl-benzo[d]isothiazole, 3-(piperazin-1-yl)-1,2-benzothiazole, 3-Piperazinyl-1,2-benzisothiazole, 4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINE, 3-PIPERAZIN-1-YL-1,2-BENZISOTHIAZOLE, 3-piperazinylbenzo[d]isothiazole, 3-Piperazin-1-yl-benzo(d)isothiazole, 3-(Piperazin-1-yl)benzo(d)isothiazole, ZERO/005869, BITP, ACMC-209qpf, SureCN250876, AC1MCL06, CHEMBL1154, UNII-59D8RAT1F9, KSC447S9J, CTK3E7994, N-(3-Benzisothiazolyl)piperazine, 3-PIPERAZINOBENZISOTHIAZOLE

Molecular Formula:	C₁₁H₁₃N₃S	Molecular Weight:	219.306020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KRDOFMHJLWKXIU-UHFFFAOYSA-N

• 1,4,5,8-Tetrachloroanthraquinone

IUPAC Name: 1,4,5,8-tetrachloroanthracene-9,10-dione | CAS Registry Number: 81-58-3
Synonyms: NSC513487, AIDS017901, AIDS-017901, CID66484, EINECS 201-362-4, ZINC05543460, 1,4,5,8-Tetrachloro-9,10-anthraquinone, Anthraquinone, 1,4,5,8-tetrachloro-, NSC 513487, 9,10-Anthracenedione, 1,4,5,8-tetrachloro-, Anthraquinone, 1,4,5,8-tetrachloro- (8CI)

Molecular Formula:	C₁₄H₄Cl₄O₂	Molecular Weight:	345.992360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DUJPMUKIEFLXRE-UHFFFAOYSA-N

• 2-(2-Ethoxy-Phenoxy)-Ethylamine

IUPAC Name: 2-(2-ethoxyphenoxy)ethanamine | CAS Registry Number: 6781-17-5
Synonyms: 2-(2-Ethoxy-phenoxy)-ethylamine, MolPort-000-150-119, CID5303042, FS011328, A3997/0170360

Molecular Formula:	C₁₀H₁₅NO₂	Molecular Weight:	181.231600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OOKCBENPEIHOJG-UHFFFAOYSA-N

• 3-Hydroxy-5-methylisoxazole

IUPAC Name: 5-methyl-1,2-oxazol-3-one | CAS Registry Number: 10004-44-1
Synonyms: Hymexazol, Hymexazole, Itachigarden, Tachigaren, Hydroxyisoxazole, Bucide, Butsid, Bucid, 5-Methylisoxazol-3-ol, Hymexazol [BSI:ISO], 3-Isoxazolol, 5-methyl-, Hydroxyisoxazole (pesticide), 5-Methyl-3-hydroxyisoxazole, 5-methyl-3-isoxazolol, Isoxazole, 3-hydroxy-5-methyl-, 3(2H)-Isoxazolone, 5-methyl-, WLN: T5NOJ C1 EQ, H3275_SIGMA, 5-METHYL-3(2H)-ISOXAZOLONE, EINECS 233-000-6

Molecular Formula:	C₄H₅NO₂	Molecular Weight:	99.088000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KGVPNLBXJKTABS-UHFFFAOYSA-N

• 5-(Bromomethyl)-alpha,alpha,alpha,alpha-tetramethyl-1,3-benzenediacetonitrile

IUPAC Name: 2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-84-4
Synonyms: 3,5-bis(2-cyanoprop-2-yl)benzyl bromide, SBB054914, 2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile, 5-bromomethyltetramethyl-1,3-benzenediacetonitrile, 2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile), 5-(Bromomethyl)-a,a,a ,a -tetramethyl-1,3-benzenediacetonitrile, zlchem 553, PubChem14362, AGN-PC-00ATFA, SureCN2258695, CTK7C5027, ZLC0418, MolPort-005-935-643, ANW-46630, ZINC21986320, AKOS015889686, AC-6804, AG-B-88288, 3,5-bis(2-cyanoprop-2-yl)benzylbromide, AK-56336

Molecular Formula:	C₁₅H₁₇BrN₂	Molecular Weight:	305.212880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IHXHGCDOJLOZML-UHFFFAOYSA-N

• 2-(Chloromethyl)naphthalene

IUPAC Name: 2-(chloromethyl)naphthalene | CAS Registry Number: 2506-41-4
Synonyms: Naphthalene, 2-(chloromethyl)-, NSC408896, CID75632, EINECS 219-713-5, NSC 408896, ST5214183

Molecular Formula:	C₁₁H₉Cl	Molecular Weight:	176.642160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N

• 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione

IUPAC Name: (5E)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 144809-28-9
Synonyms: 5-{4-[2-(5-Ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione, 5-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione, 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-Thiazolidinedione, 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene)-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene]-2,4-thiazolidinedione, 5-{4-[2-(5-Ethyl-2-Pyridinyl)Ethoxy]Benzylidene}-2,4-Thiazolidinedione, 5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene)-thiazolidine-2,4-dione, 5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene]-thiazolidine-2,4-dione, 136401-70-2, PubChem20769, 5-[4-[2-(5-ETHYLPYRIDIN-2-YL)ETHOXY]BENZYLIDENE]THIAZOLIDINE-2,4-DIONE, ACT04261, ZINC16696707, AKOS015895595, AC-2054, AG-D-88171, RL01809, AK106084

Molecular Formula:	C₁₉H₁₈N₂O₃S	Molecular Weight:	354.422820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YNTUJOCADSTMCL-GZTJUZNOSA-N

• 3-Fluoro-5-nitro-1-trifluoromethylbenzene

IUPAC Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene | CAS Registry Number: 454-73-9
Synonyms: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene, 3-Fluoro-5-nitrobenzotrifluoride, 5-FLUORO-3-(TRIFLUOROMETHYL)NITROBENZENE, AGN-PC-00OOLD, SureCN1505899, CTK8B5605, MolPort-001-773-530, ANW-49273, ZINC08699859, AKOS015890564, AC-5754, RP26490, 3-Fluoro-5-trifluoromethyl nitrobenzene, 3-Fluoro-5-(trifluoromethyl)nitrobenzene, AK-38445, BR-38445, KB-31927, AM20050182, FT-0687065, W6366

Molecular Formula:	C₇H₃F₄NO₂	Molecular Weight:	209.097833 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: RKLBCPTURHSIOJ-UHFFFAOYSA-N

• 2,2'-Bis(2-dichlorophenyl)-4,4'5,5'-tetraphenyl-1,2'-biimidazole

IUPAC Name: 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole | CAS Registry Number: 1707-68-2
Synonyms: EINECS 216-952-7, CID74357, 1,1'-Bi-1H-imidazole, 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-, 1,1'-Biimidazole, 2,2'-bis(o-chlorophenyl)-4,4',5,5'-tetraphenyl-, 2,2'-Bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,1'-bi-1H-imidazole, 12758-88-2

Molecular Formula:	C₄₂H₂₈Cl₂N₄	Molecular Weight:	659.604520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VOKXCKZXSBBOPC-UHFFFAOYSA-N

• 2,6-Dichloro-4-Trifluoromethyl Aniline

IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)aniline | CAS Registry Number: 24279-39-8
Synonyms: 4-Amino-3,5-dichlorobenzotrifluoride, 408190_ALDRICH, SBB003283, ZINC00056905, 2,6-Dichloro-4-(trifluoromethyl)aniline, TL8001998, D1236, InChI=1/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H

Molecular Formula:	C₇H₄Cl₂F₃N	Molecular Weight:	230.014570 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ITNMAZSPBLRJLU-UHFFFAOYSA-N

• 4-Benzoylbiphenyl

IUPAC Name: phenyl-(4-phenylphenyl)methanone | CAS Registry Number: 2128-93-0
Synonyms: 4-Phenylbenzophenone, p-Benzoylbiphenyl, p-Phenylbenzophenone, Benzophenone, 4-phenyl-, Trigonal 12, Eusolex 3490, 4-Diphenyl phenyl ketone, 4-Diphenylphenyl ketone, p-Biphenylyl phenyl ketone, Phenyl p-biphenylyl ketone, 4-Biphenylyl phenyl ketone, Maybridge4_000539, NCIOpen2_001988, B12601_ALDRICH, EINECS 218-345-2, NSC 55283, NSC 97365, Methanone, [1,1'-biphenyl]-4-ylphenyl-, NSC55283, NSC97365

Molecular Formula:	C₁₉H₁₄O	Molecular Weight:	258.313860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

• 2,4,6-Tribromophenol

IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula:	C₆H₃Br₃O	Molecular Weight:	330.799420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2-Hydroxy-2-Methyl-Phenyl-Propane-1-One

IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 7473-98-5
Synonyms: HMPP, 2-Hydroxy-2-methylpropiophenone, 405655_ALDRICH, EINECS 231-272-0, 1-Phenyl-2-hydroxy-2-methylpropan-1-one, NSC 401744, NSC401744, 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-, 2-Hydroxy-2-methyl-1-phenyl-1-propanone, LS-123055, TL8005139, 126038-32-2, 71833-40-4, 75718-48-8

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

• 3-(4-Cumyl)-1,1-Dimethylurea

IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea | CAS Registry Number: 34123-59-6
Synonyms: Graminon, Belgran, Arelon, Tolkan, ISOPROTURON, Nocilon, Arelon R, Alon, Zodiac TX, IPU Stefes, isoproturon-50, IP-Flo, Hytane 500L, Isoproturon solution, Isoproturon [BSI:ISO], PS2000_SUPELCO, 3-p-Cumenyl-1,1-dimethylurea, DPX 6774, 36137_RIEDEL, 45867_RIEDEL

Molecular Formula:	C₁₂H₁₈N₂O	Molecular Weight:	206.284120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

• 5-Difluoro Methoxy-2[[(3,4-Dimethoxy-2 -Pyridinyl) Methyl]Thio]-1 -H- Benzimidazole (Sulphide)

IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole | CAS Registry Number: 102625-64-9
Synonyms: 5-Difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methyl]thio-1H-benzimidazole, 5-DIFLUOROMETHOXY-2-, SBB070987, 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole, 5-difluoromethoxy-2-{((3,4-dimethoxy-2-pyridinyl)methyl)thio}-1h-benzimidazole, Pantoprazole sulfide, Pantoprazole thioether, PubChem20403, ACMC-1BOUK, UNII-BWZ6X03HIB, SureCN537800, KSC498E9N, Pantoprazole related compound B, Jsp000294, CTK3J8296, MolPort-003-849-784, ANW-14723, ZINC16158998, )METHYLTHIO]-1H-BENZIMIDAZOLE, AKOS015895368

Molecular Formula:	C₁₆H₁₅F₂N₃O₃S	Molecular Weight:	367.370406 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UKILEIRWOYBGEJ-UHFFFAOYSA-N

• 2-Azaspiro-[4,5]-decan-3-one

IUPAC Name: 2-azaspiro[4.5]decan-3-one | CAS Registry Number: 64744-50-9
Synonyms: 2-azaspiro[4.5]decan-3-one, 553743_ALDRICH, 3-Azaspiro[4.5]decan-2-one, 2-AZASPIRO(4,5)DECAN-3-ONE, 4,4-Pentamethylene-2-pyrrolidinone, CID47457, BRN 0119500, 2-PYRROLIDONE,4,4-PENTAMETHYLENE, LS-22729, beta,beta-Pentamethylen-gamma-butyrolactam [German], 5-21-07-00071 (Beilstein Handbook Reference), InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11

Molecular Formula:	C₉H₁₅NO	Molecular Weight:	153.221500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N

• 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole

IUPAC Name: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol | CAS Registry Number: 3147-75-9
Synonyms: OCTRIZOLE, UV Absorber-5, Sumisorb 340, Seesorb 709, Tinuvin 329, Viosorb 583, Cyasorb 5411, Cyasorb UV 5411, Octrizole [USAN:INN], Octrizol [INN-Spanish], Octrizolum [INN-Latin], Spectra-Sorb UV 5411, Octrizole (USAN/INN), Oprea1_301042, 322806_ALDRICH, 2-Benzotriazolyl-4-tert-octylphenol, EINECS 221-573-5, ZINC01849911, 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole, 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole

Molecular Formula:	C₂₀H₂₅N₃O	Molecular Weight:	323.432000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine

IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula:	C₁₀H₁₃Cl₂N₂+	Molecular Weight:	232.129620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone

IUPAC Name: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 22246-18-0
Synonyms: 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone, 7-hydroxy-3,4-dihydro-1H-quinolin-2-one, 7-Hydroxy-3,4-dihydrocarbostyril, 7-Hydroxy-3,4-dihydro carbostyril, 7-Hydroxy-3,4-dihydro-quinolin-2-one, 7-hydroxy-3,4-dihydroquinolin-2(1H)-one, 3,4-Dihydro-7-hydroxycarbostyril, STK617335, AG-E-62602, 7-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone, 7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one, 7-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-7-HYDROXY-, 7-Hydroxy-3,4-dihydroquinolin-2[1H]-one, zlchem 327, PubChem14908, SureCN8751, AGN-PC-00AXYB, AC1MD98D, ACMC-1CO92

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N

• 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester

IUPAC Name: diethyl 5-ethylpyridine-2,3-dicarboxylate | CAS Registry Number: 105151-39-1
Synonyms: TPC-PY075, 5-Ethyl-Pyridine-2,3-Dicarboxylic Acid Diethyl Ester

Molecular Formula:	C₁₃H₁₇NO₄	Molecular Weight:	251.278380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VSPXTWXXNZJEHM-UHFFFAOYSA-N

• 2-(Benzylthio)nicotinic acid

IUPAC Name: 2-benzylsulfanylpyridine-3-carboxylic acid | CAS Registry Number: 112811-90-2
Synonyms: 2-(benzylthio)nicotinic acid, 2-Benzylsulfanyl-nicotinic acid, 2-(benzylsulfanyl)nicotinic acid, SBB053014, 2-[benzylthio]nicotinic acid, 3-Pyridinecarboxylicacid, 2-[(phenylmethyl)thio]-, PubChem10737, ACMC-20cuk0, AC1Q5UUI, ChemDiv3_013058, 2-Thiobenzylnicotinic Acid, AC1LFQ53, SureCN3594763, MLS000046237, 2-Benzylsulfanylnicotinic acid, CTK0H4672, MolPort-001-769-484, HMS1510B12, HMS2446N24, AR-1C8579

Molecular Formula:	C₁₃H₁₁NO₂S	Molecular Weight:	245.296940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OJNZDGDYAXCHPB-UHFFFAOYSA-N

• 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one

IUPAC Name: 9-methyl-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 27387-31-1
Synonyms: 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one, 1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE, 9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one, 9-methyl-2,3-dihydro-1H-carbazol-4-one, 9-methyl-1,2,3,4-tetrahydro-4-oxocarbazole, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-, 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-, 9-methyl-1,2,3,9-tetrahydro-4aH-carbazol-4-one, ZERO/001167, PubChem9952, AGN-PC-0CUJQD, AC1LCC4S, Maybridge1_001957, SureCN1146660, Ondansetron related compound C, UNII-267IW42T7Z, AC1Q3Z59, Jsp005325

Molecular Formula:	C₁₃H₁₃NO	Molecular Weight:	199.248420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N

• (S)-2-Chloropropionic acid

IUPAC Name: (2S)-2-chloropropanoic acid | CAS Registry Number: 29617-66-1
Synonyms: (2S)-Chloropropanoic acid, L-2-Chloropropanoic acid, L-2-Chloropropionic acid, alpha-L-Chloropropionic acid, (S)-2-Chloropropanoic acid, 2S-chloropropanoic acid, 2(S)-Chloropropionic acid, beta-Chloropropionic acid, 2(S)-Chloropropionic ac, Propanoic acid, 2-chloro-, L-alpha-Chloropropionic acid, (-)-2-Chloropropanoic acid, (-)-2-Chloropropionic acid, 2-CHLOROPROPANOIC ACID, Propanoic acid, 2-chloro-, (S)-, Propionic acid, 2-chloro-, L-, 306797_ALDRICH, LMFA01090032, Propionic acid, 2-chloro-, L- (8CI), SB 01780

Molecular Formula:	C₃H₅ClO₂	Molecular Weight:	108.523600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GAWAYYRQGQZKCR-REOHCLBHSA-N

• 1,2-Dibromo-2,4-dicyanobutane

IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile | CAS Registry Number: 35691-65-7
Synonyms: Bromothalonil, Tektamer, Metacide 38, Tektamer 38, Tektamer 38AD, BBMG, MDBGN, Tuopai DM 01, Caswell No. 114G, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile, HSDB 7313, 2-Bromo-2-bromoethylglutaronitrile, EINECS 252-681-0, 2-Bromo-2-(bromomethyl)glutaronitrile, EPA Pesticide Chemical Code 111001, Glutaronitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) glutaronitrile, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) pentanedinitrile

Molecular Formula:	C₆H₆Br₂N₂	Molecular Weight:	265.933240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

• 1-Chloro-4-(1,1-Dimethyl ethyl) Benzene Ether

IUPAC Name: 1-tert-butyl-4-chlorobenzene | CAS Registry Number: 3972-56-3
Synonyms: 1-tert-Butyl-4-chlorobenzene, 4-tert-Butyl-1-chlorobenzene, CID77594, EINECS 223-598-7, 1-Chloro-4-(1,1-dimethylethyl)benzene, Benzene, 1-chloro-4-(1,1-dimethylethyl)-, AE-562/43286974

Molecular Formula:	C₁₀H₁₃Cl	Molecular Weight:	168.663220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: XRTANKYQJQXSFP-UHFFFAOYSA-N

• 2,4,6-Trimethyl Benzophenone

IUPAC Name: phenyl-(2,4,6-trimethylphenyl)methanone | CAS Registry Number: 954-16-5
Synonyms: Ketone, mesityl phenyl, Mesityl phenyl ketone, Esacure TZT 100, Ambap1218, mesityl-phenyl-methanone, Mesitylene, 2-benzoyl-, 2,4,6-Trimethylbenzophenone, Benzophenone, 2,4,6-trimethyl-, NSC26923, 2,4,6-Trimethylbenzofenon [Dutch], 2,4,6-Trimethylbenzophenon [Danish], 2,4,6-Trimethylbenzophenon [German], 2,4,6-Trimetilbenzofenona [Spanish], 2,4,6-Trimetilbenzofenone [Italian], 2,4,6-Trimethylbenzophenone [French], Methanone, phenyl(2,4,6-trimethylphenyl)-, 2,4,6-Trimetilbenzofenona [Portuguese], EE4031509

Molecular Formula:	C₁₆H₁₆O	Molecular Weight:	224.297640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HPAFOABSQZMTHE-UHFFFAOYSA-N

• 3-(N-Acetylamino) Acetophenone

IUPAC Name: N-(2-acetylphenyl)acetamide | CAS Registry Number: 5234-26-4
Synonyms: 2'-Acetylacetanilide, o-Acetamidoacetophenone, 2'-Acetamidoacetophenone, N-(2-Acetylphenyl)acetamide, 2'-(Acetylamino)acetophenone, Acetamide, N-(2-acetylphenyl)-, ACETANILIDE, 2'-ACETYL-, Acetamido-2 acetophenone [French], NSC 12469, NSC12469, BRN 0908950, BBV-082835, Acetamide, N-(2-acetylphenyl)- (9CI), LS-10421, 4-14-00-00092 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YSZGCNKBKQQPAH-UHFFFAOYSA-N

• 1-Cyclohexylethanol

IUPAC Name: 1-cyclohexylethanol | CAS Registry Number: 1193-81-3
Synonyms: Methylcyclohexylcarbinol, Cyclohexylmethylcarbinol, 1-Cyclohexyl-1-ethanol, Ethanol, 1-cyclohexyl-, Methanol, cyclohexylmethyl-, (1-Hydroxyethyl)cyclohexane, alpha-Methylcyclohexanemethanol, NSC9476, 110434_ALDRICH, MolPort-001-787-148, NSC44898, CID137829, Cyclohexanemethanol, .alpha.-methyl-, BBV-27118982, Cyclohexanemethanol, alpha-methyl-, (S)-, Cyclohexanemethanol, .alpha.-methyl-, (S)-, I14-1786, 3113-98-2

Molecular Formula:	C₈H₁₆O	Molecular Weight:	128.212040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N

• 2-Amino-5-trifluoromethylpyridine

IUPAC Name: 5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 74784-70-6
Synonyms: TPC-PY067, 684716_ALDRICH, 2-Amino-5-(trifluoromethyl)pyridine, 2-Amino-5-Trifluoromethyl Pyridine, SBB005500, A201, TL8005140, 3S105710

Molecular Formula:	C₆H₅F₃N₂	Molecular Weight:	162.112510 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N

• (r)-2-hydroxy-4-phenylbutanoic Acid

IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 29678-81-7
Synonyms: 420085_ALDRICH, 2-Hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, TL8002311, N-1121

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 4-Amino-2-Methyl-10-H Thieno (2,3b)(1,5)-Benzodiazapin

IUPAC Name: 2-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-amine;hydrochloride | CAS Registry Number: 138564-60-0
Synonyms: 4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride, 4-Amino-2-methyl-10H-thieno[2,3-b][1,5] benzodiazapine HCl, 2-Methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine hydrochloride, 2-methyl-10H-benzo[b]thiopheno[3,2-f]1,4-diazepine-4-ylamine, chloride, SureCN937256, AGN-PC-00EA9V, CTK6C5841, MolPort-000-854-397, BB_SC-4610, SBB001030, AKOS000277837, AC-5499, AG-A-71353, MCULE-1167350983, RP29462, AK-25403, BR-25403, ST060217, AB1008597, TL8006140

Molecular Formula:	C₁₂H₁₂ClN₃S	Molecular Weight:	265.761780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: FYWKZVBFQWWTHT-UHFFFAOYSA-N

• 1,4-Diisopropoxybenzene

IUPAC Name: 1,4-di(propan-2-yloxy)benzene | CAS Registry Number: 7495-78-5
Synonyms: Benzene, 1,4-bis(1-methylethoxy)-, NSC407768, CID82002, NSC 407768

Molecular Formula:	C₁₂H₁₈O₂	Molecular Weight:	194.270120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HXINKONAVYDDKZ-UHFFFAOYSA-N

• 1-Nitroguanidine

IUPAC Name: 2-nitroguanidine | CAS Registry Number: 556-88-7
Synonyms: Nitroguanidine, Guanidine, nitro-, Picrite, 2-Nitroguanidine, N''-Nitroguanidine, N-nitroguanidine, 1-NITROGUANIDINE, Guanidine, 1-nitro-, .alpha.-Nitroguanidine, N1-Nitroguanidine, 1-nitro-guanidine, N(1)-Nitroguanidine, Nitroguanidine, wet, Picrite (the explosive), .beta.-Nitroguanidine, WLN: WNMYZUM, Guanidine, 1-nitro- (wet), N17351_ALDRICH, HSDB 5693, CHEBI:39180

Molecular Formula:	CH₄N₄O₂	Molecular Weight:	104.068060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: IDCPFAYURAQKDZ-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-Dimethyl-7-Benzofuranol Methylcarbamate

IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate | CAS Registry Number: 1563-66-2
Synonyms: carbofuran, Furadan, Curaterr, Yaltox, Carbofurane, Pillarfuran, Crisfuran, Kenofuran, Chinufur, Furacarb, Brifur, Furadan 3G, Furodan, Furadan G, Furadan 4f, Karbofuranu [Polish], Niagara 10242, Caswell No. 160A, Niagara nia-10242, Spectrum_001895

Molecular Formula:	C₁₂H₁₅NO₃	Molecular Weight:	221.252400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DUEPRVBVGDRKAG-UHFFFAOYSA-N

• 3-Hydroxybenzoic acid

IUPAC Name: 3-hydroxybenzoic acid | CAS Registry Number: 99-06-9
Synonyms: 3-Carboxyphenol, m-Salicylic acid, M-HYDROXYBENZOIC ACID, m-Hba, Benzoic acid, 3-hydroxy-, Benzoic acid, m-hydroxy-, 3-Hydroxybenzoate, 3pcb, Enamine_005356, H20008_ALDRICH, Acido m-idrossibenzoico [Italian], Kyselina 3-hydroxybenzoova [Czech], 54610_FLUKA, 54620_FLUKA, CHEBI:30764, EINECS 202-726-5, NSC 55746, AIDS018037, AIDS-018037, NSC55746

Molecular Formula:	C₇H₆O₃	Molecular Weight:	138.120740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N

• 4-Methylbenzophenone

IUPAC Name: (4-methylphenyl)-phenylmethanone | CAS Registry Number: 134-84-9
Synonyms: p-Benzoyltoluene, p-Methylbenzophenone, Phenyl p-tolyl ketone, 4-Methyl benzophenone, p-Benzophenone, methyl-, BENZOPHENONE, 4-METHYL-, Methanone, (4-methylphenyl)phenyl-, USAF DO-54, WLN: 1R DVR, M29959_ALDRICH, NSC 4898, EINECS 205-159-1, (4-Methyphenyl)(phenyl)methanone, NSC4898, (4-Methylphenyl)(phenyl)methanone, AI3-18452, NCGC00164221-01, LS-38942

Molecular Formula:	C₁₄H₁₂O	Molecular Weight:	196.244480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N