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• 3-Phenylpropionitrile
IUPAC Name: heptanenitrile | CAS Registry Number: 629-08-3
Synonyms: Heptanonitrile, Hexyl cyanide, Enanthonitrile, HEPTANENITRILE, 1-Cyanohexane, Heptane nitrile, n-Heptanenitrile, Heptane-1-nitrile, 404896_ALDRICH, NSC 2172, EINECS 211-071-4, NSC2172, CID12372, AI3-28301, BBV-213301, LS-195273, TL8004314, 1885-40-1, 73833-76-8, CNX

Molecular Formula: C7H13NMolecular Weight: 111.184820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SDAXRHHPNYTELL-UHFFFAOYSA-N

• 4'-Hydroxy-3'-Nitroacetophenone
IUPAC Name: 1-(4-hydroxy-3-nitrophenyl)ethanone | CAS Registry Number: 6322-56-1
Synonyms: 4-Hydroxy-3-Nitroacetophenone, 4'-Hydroxy-3'-nitroacetophenone, 330256_ALDRICH, NSC32113, ST5407032

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

InChIKey: MMNKVWGVSHRIJL-UHFFFAOYSA-N

• 4,5-Dihydro-3(2H)Thiophenone
IUPAC Name: thiolan-3-one | CAS Registry Number: 1003-04-9
Synonyms: 3-Thiophanone, 3-Thiacyclopentanone, Tetrahydrothiophen-3-one, 3-Oxotetrahydrothiophene, 3-Tetrahydrothiophenone, Dihydro-3(2H)-thiophenone, Dihydrothiophen-3(2H)-one, tetrahydro-thiophen-3-one, Dihydro-3-(2H)-thiophenone, FEMA No. 3266, 3(2H)-THIOPHENONE, DIHYDRO-, 4,5-Dihydro-3(2H)thiophenone, W326607_ALDRICH, 264784_ALDRICH, 3-Oxo-2,3,4,5-tetrahydrothiophene, 37390_FLUKA, EINECS 213-698-9, 4,5-Dihydro-3(2H)-thiophenone, NSC 241151, NSC241151

Molecular Formula: C4H6OSMolecular Weight: 102.154840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DSXFPRKPFJRPIB-UHFFFAOYSA-N

• 4-(2-Bromoacetyl)benzonitrile
IUPAC Name: 4-(2-bromoacetyl)benzonitrile | CAS Registry Number: 20099-89-2
Synonyms: 4-Cyanophenacyl bromide, p-Cyanophenacyl bromide, Benzonitrile, 4-(bromoacetyl)-, 2-Bromo-4'-cyanoacetophenone, 539392_ALDRICH, NSC157569, STK279014, ZINC00166064, NSC 157569, FS000853, TL8001657

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LJANCPRIUMHGJE-UHFFFAOYSA-N

• 4-(3-Oxocyclobutyl)phenylboronic Acid
IUPAC Name: [4-(3-oxocyclobutyl)phenyl]boronic acid | CAS Registry Number: 254893-03-3
Synonyms: (4-(3-Oxocyclobutyl)phenyl)boronic acid, 3-(4-Boronophenyl)cyclobutanone, 4-(3-oxocyclobutyl)phenylboronic acid, [4-(3-oxocyclobutyl)phenyl]boronic Acid, AC1N5MBL, CTK4F5906, MolPort-001-770-068, ANW-62573, OR7162, AKOS016004374, AB15459, AG-E-78157, 3-(4-Dihydroxyborylphenyl)cyclobutanone;, AK101891, KB-207706, Boronic acid,[4-(3-oxocyclobutyl)phenyl]- (9CI)

Molecular Formula: C10H11BO3Molecular Weight: 190.003540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BYPKMPFUDVBYQU-UHFFFAOYSA-N

• 4-(4-Formylphenoxy)Benzoic Acid
IUPAC Name: 4-(4-formylphenoxy)benzoic acid | CAS Registry Number: 2509-18-4
Synonyms: 4-(4-FORMYLPHENOXY)BENZOIC ACID, CTK4F4962, Benzoic acid,4-(4-formylphenoxy)-, AG-E-75861, KB-238345, 4-(4-Formylphenoxy)benzoic acid;Benzoicacid, p-(p-formylphenoxy)- (6CI,7CI,8CI);

Molecular Formula: C14H10O4Molecular Weight: 242.226800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OWRVVBLHUAFCNN-UHFFFAOYSA-N

• 4-(4-Methoxyphenyl)butyric acid
IUPAC Name: 4-(4-methoxyphenyl)butanoic acid | CAS Registry Number: 4521-28-2
Synonyms: TimTec1_001535, Benzenebutanoic acid, 4-methoxy-, 163384_ALDRICH, NSC407553, CID78280, EINECS 224-849-3, NCGC00174327-01, ST023316

Molecular Formula: C11H14O3Molecular Weight: 194.227060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LZHMNCJMXQKSBY-UHFFFAOYSA-N

• 4-(4-Nitrophenoxy)aniline
IUPAC Name: 4-(4-nitrophenoxy)aniline | CAS Registry Number: 6149-33-3
Synonyms: CCRIS 8022, NCIOpen2_004099, Oprea1_681434, 4-Amino-4'-nitrodiphenyl ether, 4-Amino-4'-nitro-diphenyl ether, Benzenamine, 4-(4-nitrophenoxy)-, EINECS 228-159-3, NSC74273, ZINC01620680, LS-188370, ST5340268, 62970-92-7

Molecular Formula: C12H10N2O3Molecular Weight: 230.219400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASAOLTVUTGZJST-UHFFFAOYSA-N

• 4-(Boc-amino)pyridine
IUPAC Name: tert-butyl N-pyridin-4-ylcarbamate | CAS Registry Number: 98400-69-2
Synonyms: 4-(tert-butoxycarbonylamino)pyridine, tert-butyl pyridin-4-ylcarbamate, tert-Butyl N-(4-Pyridyl)carbamate, tert-butyl N-(pyridin-4-yl)carbamate, ST50825371, PubChem20060, ACMC-209sa9, SureCN334709, KSC495M3F, 658707_ALDRICH, N-BOC-4-AMINO-PYRIDINE, CTK3J5632, MolPort-003-938-454, ANW-40927, ZINC12478475, AKOS009462060, AB11054, AG-B-09192, MCULE-4179072837, RP03968

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DRZYCRFOGWMEES-UHFFFAOYSA-N

• 4-(Cyclopropylmethoxy)phenylboronic Acid
IUPAC Name: [4-(cyclopropylmethoxy)phenyl]boronic acid | CAS Registry Number: 411229-67-9
Synonyms: 4-(Cyclopropylmethoxy)phenylboronic acid, 4-(Cyclopropylmethoxy)benzeneboronic acid, [4-(cyclopropylmethoxy)phenyl]boranediol, ACMC-209jis, [4-(cyclopropylmethoxy)phenyl]boronic Acid, SureCN1927291, AC1N5P67, AC1Q715T, CTK4I4293, MolPort-000-931-595, ANW-29570, AKOS004116259, AB17261, AG-F-46207, 4-(Cyclopropylmethoxy)phemylboronic acid, AK-35090, KB-97007, FT-0646204, EN300-49610, A-3102

Molecular Formula: C10H13BO3Molecular Weight: 192.019420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AYJVDOMUBHORKK-UHFFFAOYSA-N

• 4-(Methyl amino)-Benzoic Acid
IUPAC Name: 4-(methylamino)benzoic acid | CAS Registry Number: 10541-83-0
Synonyms: p-Methylaminobenzoic acid, 4-Methylaminobenzoic acid, Benzoic acid, 4-(methylamino)-, p-(Methylamino)benzoic acid, Maybridge3_003350, 4-(Methylamino)benzoic acid, N-Methyl-4-aminobenzoate, Benzoic acid, p-(methylamino)-, N-Methyl-4-aminobenzoic acid, 4-(N-Methylamino)benzoic acid, Oprea1_065286, 119695_ALDRICH, AIDS020030, AIDS-020030, EINECS 234-121-7, JFD 03586, NSC102506, NSC 102506, Benzoic acid, p-(methylamino)- (8CI), IDI1_014737

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZVIDMSBTYRSMAR-UHFFFAOYSA-N

• 4-(N-Cyclopropylaminocarbonyl)phenyl boronic acid, pinacol ester
IUPAC Name: N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide | CAS Registry Number: 827614-68-6
Synonyms: N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(Cyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-(cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, 4-(n-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, SureCN103893, AC1MBX72, AMTB353, CTK8B7494, MolPort-000-153-800, ANW-57476, AKOS015960084, AB21942, AK-84289, KB-34911, B-5485, A840434, N-(Cyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-, 4-(Cyclopropylaminocarbonyl)phenylboronic acid pinacol ester, 4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester,, 4-(n-cyclopropylaminocarbonyl)phenyl boronic acid, pinacol ester

Molecular Formula: C16H22BNO3Molecular Weight: 287.161780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PXTNJXLWXIJJIM-UHFFFAOYSA-N

• 4-(N-Cyclopropylaminocarbonyl)phenylboronic acid
IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 515140-26-8
Synonyms: BM408

Molecular Formula: C10H12BNO3Molecular Weight: 205.018180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WCRPDYXXIVYAAJ-UHFFFAOYSA-N

• 4-(tert-Butoxycarbonylaminomethyl)piperidine
IUPAC Name: tert-butyl N-(pyridin-4-ylmethyl)carbamate | CAS Registry Number: 135632-53-0
Synonyms: N-Boc-4-aminomethylpyridine, 649767_ALDRICH, ZINC00128559, CID1512532

Molecular Formula: C11H16N2O2Molecular Weight: 208.256940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KXCFJDZVQLRYSI-UHFFFAOYSA-N

• 4-(Trifluoromethoxy)nitrobenzene
IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene | CAS Registry Number: 713-65-5
Synonyms: 1-Nitro-4-(trifluoromethoxy)benzene, ZERO/001419, 1-Nitro-4-trifluoromethoxy-benzene, ZINC00081468, Alpha,alpha,alpha-trifluoro-4'-nitroanisole, D1054

Molecular Formula: C7H4F3NO3Molecular Weight: 207.106770 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UBEIKVUMDBCCRW-UHFFFAOYSA-N

• 4-Amino-6-Hydroxypyrazolo[3,4-D]Pyrimidine
IUPAC Name: 4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-one | CAS Registry Number: 5472-41-3
Synonyms: Oprea1_561915, NSC28415, EINECS 226-811-1, SBB004064, ZINC03860174, 4-Aminopyrazolo(3,4-d)pyrimidin-6-ol, 4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol, 4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine, 6H-Pyrazolo[3,4-d]pyrimidin-6-one, 4-amino-1,5-dihydro-

Molecular Formula: C5H5N5OMolecular Weight: 151.126100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KTQYLKORCCNJTQ-UHFFFAOYSA-N

• 4-Aminomethyltetrahydropyran
IUPAC Name: oxan-4-ylmethanamine | CAS Registry Number: 130290-79-8
Synonyms: 4-aminomethyltetrahydropyran, ALBB-005330, ZERO/008487, 1-tetrahydro-2H-pyran-4-ylmethanamine, TL8000719

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IPBPLHNLRKRLPJ-UHFFFAOYSA-N

• 4-Aminophenylacetonitrile
IUPAC Name: 2-(4-aminophenyl)acetonitrile | CAS Registry Number: 3544-25-0
Synonyms: 4-Aminobenzyl cyanide, p-Aminobenzyl cyanide, (p-Aminophenyl)acetonitrile, (4-aminophenyl)acetonitrile, A42050_ALDRICH, AIDS020222, AIDS-020222, EINECS 222-587-4, SBB004218, ZINC00152526, InChI=1/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H, 3457-99-6

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

InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N

• 4-Aminotetrahydropyran
IUPAC Name: oxan-4-amine | CAS Registry Number: 38041-19-9
Synonyms: tetrahydro-2H-pyran-4-amine, ALBB-005323, ZERO/009164, CID419223, NSC112471, TL8006501

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AHVQYHFYQWKUKB-UHFFFAOYSA-N

• 4-Bromo benzonitrile
IUPAC Name: 4-bromobenzonitrile | CAS Registry Number: 623-00-7
Synonyms: p-Bromobenzonitrile, 4-BROMOBENZONITRILE, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene, WLN: NCR DE, B58407_ALDRICH, Benzonitrile, p-bromo- (8CI), NSC 3978, EINECS 210-764-9, NSC3978, ZINC00164599, AI3-00488, LS-38647, TL806447, ST5406341, AH-034/32461003, InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HQSCPPCMBMFJJN-UHFFFAOYSA-N

• 4-Bromo-2-furaldehyde
IUPAC Name: 4-bromofuran-2-carbaldehyde | CAS Registry Number: 21921-76-6
Synonyms: 4-Bromofurfural, 4-bromofuran-2-carbaldehyde, 4-Bromo-2-formylfuran, 4-Bromofuran-2-carboxaldehyde, SBB069420, zlchem 82, ZINC02567282, PubChem3545, AC1MBUVK, ACMC-209fpi, AC1Q25CK, AC1Q25CL, 4-bromo-2-furancarbaldehyde, 666599_ALDRICH, 2-Furancarboxaldehyde,4-bromo-, CTK4E7980, ZLB0070, MolPort-000-152-114, ACT05810, ANW-24628

Molecular Formula: C5H3BrO2Molecular Weight: 174.980120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N

• 4-Bromo-5-Methyl-2-NitroPhenol
IUPAC Name: 4-bromo-5-methyl-2-nitrophenol | CAS Registry Number: 182500-28-3
Synonyms: 4-bromo-5-methyl-2-nitrophenol, ACMC-209yc4, SureCN305380, CTK4D8216, ANW-48770, AKOS015890743, AG-I-03310, RP27986, AK-50977, BR-50977, KB-125218, AM20030208, FT-0694698, W3963, A116088, I01-8011

Molecular Formula: C7H6BrNO3Molecular Weight: 232.031440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DNYRLBZBDGVLHF-UHFFFAOYSA-N

• 4-Bromophenethylamine
IUPAC Name: 2-(4-bromophenyl)ethanamine | CAS Registry Number: 73918-56-6
Synonyms: p-Bromophenethylamine, Benzeneethanamine, 4-bromo-, 189308_ALDRICH, EINECS 277-636-2, CID533915, FS000610, ST5406674

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZSZCXAOQVBEPME-UHFFFAOYSA-N

• 4-Chloro-3-Fluoropyridine
IUPAC Name: 4-chloro-3-fluoropyridine | CAS Registry Number: 2546-56-7
Synonyms: 4-Chloro-3-fluoropyridine, ZINC02598038, PubChem6667, AC1MY7MT, ACMC-209x6p, SureCN317186, 71585_ALDRICH, 71585_FLUKA, CTK1A1781, MolPort-001-776-741, 3-FLUORO-4-CHLORO PYRIDINE, ACN-S002456, ANW-47279, SBB085789, AKOS005063628, AB15511, AG-E-78034, AM62391, PYRIDINE, 4-CHLORO-3-FLUORO-, RP00958

Molecular Formula: C5H3ClFNMolecular Weight: 131.535423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BEQUUSCRAKEKQM-UHFFFAOYSA-N

• 4-Chloro-3-Methylbenzoic acid
IUPAC Name: 4-chloro-3-methylbenzoic acid | CAS Registry Number: 7697-29-2
Synonyms: 4-Chloro-3-methylbenzoic acid, m-Toluic acid, 4-chloro-, Benzoic acid, 4-chloro-3-methyl-, NSC137157, ST5408010, TL8005289

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MRUKIIWRMSYKML-UHFFFAOYSA-N

• 4-Chloro-3-Nitrobenzotrifluoride
IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 121-17-5
Synonyms: CMNT, MNT-Cl, Ambap1616, 3-Nitro-4-chlorobenzotrifluoride, 4-CHLORO-3-NITROBENZOTRIFLUORIDE, CCRIS 2817, C60600_ALDRICH, HSDB 4257, 4-Chloro-3-nitrobenzylidyne fluoride, 2-Chloro-5-(trifluoromethyl)nitrobenzene, 2-Nitro-4-trifluoromethylchlorobenzene, 3-Nitro-4-chlorotrifluoromethylbenzene, NSC 8760, EINECS 204-451-6, NSC8760, Benzotrifluoride, 4-chloro-3-nitro-, UN2307, 4-Chloro-3-nitro-a,a,a-trifluorotoluene, 2-Chloro-5-trifluoromethylnitrobenzene, Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-

Molecular Formula: C7H3ClF3NO2Molecular Weight: 225.552430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: TZGFQIXRVUHDLE-UHFFFAOYSA-N

• 4-Chlorobutyl Acetate
IUPAC Name: 4-chlorobutyl acetate | CAS Registry Number: 6962-92-1
Synonyms: 4-Chlorobutyl acetate, 4-Chloro-n-butyl acetate, 1-Acetoxy-4-chlorobutane, 1-Chloro-4-acetoxybutane, delta-Chlorobutyl acetate, 4-Chlorbut-1-ylacetat, 4-Chloro-1-butanol acetate, .omega.-Chlorobutyl acetate, 1-BUTANOL, 4-CHLORO-, ACETATE, C29207_ALDRICH, 4-Chlorbut-1-ylacetat [German], EINECS 230-158-8, NSC 53492, NSC 54074, 1-Butanol, 4-chloro-, 1-acetate, CID23399, NSC53492, NSC54074, BRN 1749681, ZINC01684560

Molecular Formula: C6H11ClO2Molecular Weight: 150.603340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PYLDCZJUHYVOAF-UHFFFAOYSA-N

• 4-Cyanophenol
IUPAC Name: 4-hydroxybenzonitrile | CAS Registry Number: 767-00-0
Synonyms: 4-Hydroxybenzonitrile, p-Hydroxybenzonitrile, P-CYANOPHENOL, Benzonitrile, 4-hydroxy-, Benzonitrile, p-hydroxy-, phenol derivative, 10, WLN: QR DCN, C7H5NO, C94009_ALDRICH, 4-Hydroxybenzoic acid nitrile, 45528_RIEDEL, 54797_FLUKA, CHEBI:38622, EINECS 212-175-2, NSC 400524, NSC400524, SBB008054, ZINC00388759, 4-HYDROXY-BENZOIC ACID,NITRILE, AI3-52392

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N

• 4-Fluoro-2-methylphenylboronic acid
IUPAC Name: (4-fluoro-2-methylphenyl)boronic acid | CAS Registry Number: 139911-29-8
Synonyms: Ambap1119, 565652_ALDRICH, BM271, TL8000899

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IQMLIVUHMSIOQP-UHFFFAOYSA-N

• 4-Fluoro-3-methylphenylboronic Acid
IUPAC Name: (4-fluoro-3-methylphenyl)boronic acid | CAS Registry Number: 139911-27-6
Synonyms: Ambap4056, 4-Fluoro-3-methylphenylboronic acid, 483567_ALDRICH, 4-Fluoro-3-methylbenzeneboronic acid, CID2774580, F3320G1, TL8000898, AN-967/25120030

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JCIJCHSRVPSOML-UHFFFAOYSA-N

• 4-Fluorophenylboronic Acid
IUPAC Name: (4-fluorophenyl)boronic acid | CAS Registry Number: 1765-93-1
Synonyms: 4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid, Phenylboronic Acid, 7, p-fluorophenylboronic acid, (4-fluorophenyl)boronic acid, p-fluorobenzeneboronic acid, (4-fluorophenyl)boranediol, (4-fluorophenyl)dihydroxyborane, 417556_ALDRICH, CHEBI:48661, BM034, ALBB-006109, NSC142683, AC 33410, TL8001403

Molecular Formula: C6H6BFO2Molecular Weight: 139.920043 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LBUNNMJLXWQQBY-UHFFFAOYSA-N

• 4-Hydroxy-3-methyl acetophenone
IUPAC Name: 1-(4-hydroxy-3-methylphenyl)ethanone | CAS Registry Number: 876-02-8
Synonyms: 4-Hydroxy-3-methylacetophenone, 4'-Hydroxy-3'-methylacetophenone, H38004_ALDRICH, NSC63365, 1-(4-Hydroxy-3-methylphenyl)ethanone, CID70135, EINECS 212-880-5, ZINC00164888, ST5044620, TL8006930, AO-800/41069724, InChI=1/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LXBHHIZIQVZGFN-UHFFFAOYSA-N

• 4-Methyl-3-nitrolaurophenone
IUPAC Name: 4-methyl-3-nitro-1-phenyldodecan-1-one | CAS Registry Number: 50671-18-6
Synonyms: 4-METHYL-3-NITROLAUROPHENONE, CTK4J2972, AG-F-70577, Q989, 1-(4-Methyl-3-nitrophenyl)-1-dodecanone, 1-Dodecanone,1-(4-methyl-3-nitrophenyl)-, KB-193264

Molecular Formula: C19H29NO3Molecular Weight: 319.438460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RMUJGJJPZJRQSW-UHFFFAOYSA-N

• 4-Methylisoxazole
IUPAC Name: 4-methyl-1,2-oxazole | CAS Registry Number: 6454-84-8
Synonyms: 4-methyl-1,2-oxazole, MolPort-000-004-704, STK352655, ZINC02529291, M50033

Molecular Formula: C4H5NOMolecular Weight: 83.088600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHWFNFITHSPBSR-UHFFFAOYSA-N

• 4-Methylphenylboronic Acid
IUPAC Name: (4-methylphenyl)boronic acid | CAS Registry Number: 5720-05-8
Synonyms: p-Tolueneboronic acid, p-Tolylboronic acid, p-Methylbenzeneboronic acid, 4-Methylphenylboric acid, Boronic acid, p-tolyl-, p-Methylborophenylic acid, 4-Methylphenylboronic acid, Boronic acid, (4-methylphenyl)-, (4-methylphenyl)boronic acid, WLN: QBQR D1, 4-Methylbenzeneboronic acid, NCIOpen2_000259, 393622_ALDRICH, 90010_FLUKA, NSC 62870, BM033, ALBB-006111, NSC62870, BRN 2935970, NCGC00092015-01

Molecular Formula: C7H9BO2Molecular Weight: 135.956160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BIWQNIMLAISTBV-UHFFFAOYSA-N

• 4-Methylthiazole-5-carboxylic acid
IUPAC Name: 4-methyl-1,3-thiazole-5-carboxylic acid | CAS Registry Number: 20485-41-0
Synonyms: 4-Methyl-5-thiazolecarboxylic acid, MLS000715426, 633666_ALDRICH, BRN 0120745, 5-Thiazolecarboxylic acid, 4-methyl-, 4-Methyl-thiazole-5-carboxylic acid, CID209805, SBB010167, BAS 00125251, SMR000275405, 4-Methyl-1,3-thiazole-5-carboxylic acid, LS-150887, 4-27-00-04008 (Beilstein Handbook Reference)

Molecular Formula: C5H5NO2SMolecular Weight: 143.163700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZGWGSEUMABQEMD-UHFFFAOYSA-N

• 4-N-Boc-aminophenol
IUPAC Name: tert-butyl N-(4-hydroxyphenyl)carbamate | CAS Registry Number: 54840-15-2
Synonyms: N-Boc-4-aminophenol, N-Boc-4-hydroxyaniline, 576646_ALDRICH, tert-butyl 4-hydroxyphenylcarbamate, ALBB-005185

Molecular Formula: C11H15NO3Molecular Weight: 209.241700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N

• 4-Nitro Imidazole
IUPAC Name: 5-nitro-1H-imidazole | CAS Registry Number: 3034-38-6
Synonyms: 4-Nitroimidazole, Imidazole, 4-nitro-, 5-Nitroimidazole, 4(5)-Nitroimidazole, 1H-Imidazole, 4-nitro-, 5-Nitro-1H-imidazole, 4-NITRO-1H-IMIDAZOLE, MLS001304931, 141615_ALDRICH, 4-Nitro-1H-imidazole (9CI), EINECS 221-224-7, ZERO/008337, NSC 50359, AIDS059762, AIDS-059762, NSC50359, SBB004318, ZINC04692798, AI3-60154, LS-78838

Molecular Formula: C3H3N3O2Molecular Weight: 113.074820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VYDWQPKRHOGLPA-UHFFFAOYSA-N

• 4-Nitro-3-trifluoromethyl aniline
IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline | CAS Registry Number: 393-11-3
Synonyms: 5-Amino-2-nitrobenzotrifluoride, A68807_ALDRICH, 4-Nitro-3-(trifluoromethyl)aniline, 08875_FLUKA, 3-Trifluoromethyl-4-nitroanilide, 4-Nitro-3-trifluoromethylaniline, NSC10323, Benzenamine, 4-nitro-3-(trifluoromethyl)-, EINECS 206-884-6, NSC 10323, SBB006652, ZINC03888984, FR-2278, AI3-26188, ST5135054, TL8002837, 4-Nitro-alpha,alpha,alpha-trifluoro-m-toluidine

Molecular Formula: C7H5F3N2O2Molecular Weight: 206.122010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: UTKUVRNVYFTEHF-UHFFFAOYSA-N

• 4-Nitrophenethyl bromide
IUPAC Name: 1-(2-bromoethyl)-4-nitrobenzene | CAS Registry Number: 5339-26-4
Synonyms: p-Nitrophenethyl bromide, 4-nitrophenyl-ethyl-bromide, 1-(2-Bromoethyl)-4-nitrobenzene, 2-(4-Nitrophenyl)ethyl bromide, 4-(2-Bromoethyl)nitrobenzene, .beta.-(p-Nitrophenyl)ethyl bromide, 115053_ALDRICH, Benzene, 1-(2-bromoethyl)-4-nitro-, 73614_FLUKA, NSC3493, EINECS 226-271-7, NSC100730, ZINC01666812, FS000341, C110057, InChI=1/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H, NPB

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTURQZFFJDCTMZ-UHFFFAOYSA-N

• 4-Nitrophenethylamine hydrochloride
IUPAC Name: 2-(4-nitrophenyl)ethanamine | CAS Registry Number: 29968-78-3
Synonyms: 4-Nitrophenethylamine, para-Nitrophenylethylamine, Benzeneethanamine, 4-nitro-, 2-(4-nitrophenyl)ethanamine, Oprea1_732028, NSC21218, EINECS 249-980-3, NSC 21218, NSC299559, SBB005875, 24954-67-4

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IOXOZOPLBFXYLM-UHFFFAOYSA-N

• 4-Pentynoic acid
IUPAC Name: pent-4-ynoic acid | CAS Registry Number: 6089-09-4
Synonyms: Propargylacetic acid, 4-PENTYNOIC ACID, Pent-4-ynoic acid, Pent-4-yn-1-oic acid, 232211_ALDRICH, EINECS 228-028-0, CID22464, BRN 1742047, SBB009121, LS-102302, 4-02-00-01693 (Beilstein Handbook Reference)

Molecular Formula: C5H6O2Molecular Weight: 98.099940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MLBYLEUJXUBIJJ-UHFFFAOYSA-N

• 4-Phenylquinuclidine
IUPAC Name: 4-phenyl-1-azabicyclo[2.2.2]octane | CAS Registry Number: 51069-11-5
Synonyms: CID142810, 1-Azabicyclo[2.2.2]octane, 4-phenyl-, 1-Azabicyclo(2.2.2)octane, 4-phenyl-, LT00454839

Molecular Formula: C13H17NMolecular Weight: 187.280780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CSKNWIPXDBBWRW-UHFFFAOYSA-N

• 4-THP
IUPAC Name: oxan-4-one | CAS Registry Number: 29943-42-8
Synonyms: Tetrahydro-4H-pyran-4-one, 4-Oxotetrahydropyran, Tetrahydro-.gamma.-pyrone, 4H-Pyran-4-one, tetrahydro-, 198242_ALDRICH, ALBB-008898, EINECS 249-967-2, SB 01650, TL8000960, InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JMJRYTGVHCAYCT-UHFFFAOYSA-N

• 5-Amino-3,4-DimethylIsoxazole
IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine | CAS Registry Number: 19947-75-2
Synonyms: 5-Isoxazolamine, 3,4-dimethyl-, 5-Amino-3,4-dimethylisoxazole, 280240_ALDRICH, 3,4-Dimethylisoxazol-5-ylamine, 5-Amino-3,4-dimethyl-isoxazole, EINECS 243-437-4, NSC143787, ZINC00164496, 5-AMINO-3,4-DIMETHYL ISOXAZOLE, AI3-34642, ST5146743

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PYNDWPFZDQONDV-UHFFFAOYSA-N

• 5-Bromonicotinic acid
IUPAC Name: 5-bromopyridine-3-carboxylic acid | CAS Registry Number: 20826-04-4
Synonyms: Nicotinic acid, 5-bromo-, 5-Bromo Nicotinic Acid, Maybridge3_006031, MLS000737908, TPC-PY044, 3-Pyridinecarboxylic acid, 5-bromo-, 5-Bromo-3-pyridinecarboxylic acid, 228435_ALDRICH, NSC 9461, EINECS 244-065-5, NSC9461, 5-Bromopyridine-3-carboxylic acid, BRN 0115854, SBB003524, IDI1_017418, LS-96532, SMR000528085, TL806116, 3-Pyridinecarboxylic acid, 5-bromo- (9CI), 5-22-02-00181 (Beilstein Handbook Reference)

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FQIUCPGDKPXSLL-UHFFFAOYSA-N

• 5-Bromooxindole
IUPAC Name: 5-bromo-1,3-dihydroindol-2-one | CAS Registry Number: 20870-78-4
Synonyms: 5-Bromoindalin-2-on, 5-Bromo-2-oxindole, 586552_ALDRICH, CID611193, SBB005897, ZINC02565584, B2079G1, 5-Bromo-1,3-dihydro-2H-indol-2-one, TL8006280, B-8958

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VIMNAEVMZXIKFL-UHFFFAOYSA-N

• 5-Bromothiophene-2-sulphonyl chloride
IUPAC Name: 5-bromothiophene-2-sulfonyl chloride | CAS Registry Number: 55854-46-1
Synonyms: 636223_ALDRICH, 5-Bromothiophene-2-sulfonyl chloride, ALBB-000203, 5-Bromo-2-thiophenesulfonyl chloride, SBB003086, TL8006962

Molecular Formula: C4H2BrClO2S2Molecular Weight: 261.544480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGYBIEOLAFYDEC-UHFFFAOYSA-N

• 5-Chloro-2-methoxyphenylboronic acid
IUPAC Name: (5-chloro-2-methoxyphenyl)boronic acid | CAS Registry Number: 89694-48-4
Synonyms: 5-Chloro-2-methoxybenzeneboronic Acid, (5-chloro-2-methoxyphenyl)boronic acid, (5-Chloro-2-Methoxyphenyl)Boranediol, 5-Chloro-2-methoxyphenylboronicacid, SBB052529, AG-H-62796, PubChem1782, 2-Borono-4-chloroanisole, ACMC-209r2j, SureCN322537, KSC489M2B, 512249_ALDRICH, AC1MC411, AC1Q44V0, CTK3I9620, MolPort-000-140-850, ACN-S004003, ACT09332, ANW-39353, 2-Borono-4-chlorophenyl methyl ether

Molecular Formula: C7H8BClO3Molecular Weight: 186.400620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FMBVAOHFMSQDGT-UHFFFAOYSA-N

• 5-Chloro-2-Methylphenyl Isothiocyanate
IUPAC Name: 4-chloro-2-isothiocyanato-1-methylbenzene | CAS Registry Number: 19241-36-2
Synonyms: 5-Chloro-o-tolyl isothiocyanate, 474940_ALDRICH, NSC134677, NSC 134677, CID29519, BRN 2717659, ZINC00164742, 5-Chloro-2-methylphenyl isothiocyanate, BBR-022695, ISOTHIOCYANIC ACID, 5-CHLORO-o-TOLYL ESTER, LS-86406, 3-CHLORO-6-METHYLPHENYL ISOTHIOCYANATE, 3-12-00-01913 (Beilstein Handbook Reference)

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VDBDGAPNWNWUSA-UHFFFAOYSA-N


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