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• Chlorodifluoroacetic Acid
IUPAC Name: 2-chloro-2,2-difluoroacetic acid | CAS Registry Number: 76-04-0
Synonyms: Chlorodifluoroacetic acid, sNplJqDJPtadTaeTp@, Acetic acid, chlorodifluoro-, C34200_ALDRICH, 24281_FLUKA, NSC60298, EINECS 200-928-8, NSC 60298, C102, AI3-52628, 1895-39-2, 2923-14-0

Molecular Formula: C2HClF2O2Molecular Weight: 130.477946 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAWAZQITIZDJRB-UHFFFAOYSA-N

• Cychlohexylphenyl Ketone
IUPAC Name: cyclohexyl(phenyl)methanone | CAS Registry Number: 712-50-5
Synonyms: Benzoyl cyclohexane, Cyclohexyl phenyl ketone, Benzoylcyclohexane, Phenyl cyclohexyl ketone, Cyclohexylphenylketone, Methanone, cyclohexylphenyl-, USAF KF-3, cyclohexyl-phenylmethanone, WLN: L6TJ AVR, KETONE, CYCLOHEXYL PHENYL, NSC 818, 139211_ALDRICH, NSC818, EINECS 211-923-5, Benzophenone, 1,2,3,4,5,6-hexahydro-, CID12837, BRN 2046712, SBB007832, AI3-11009, FR-0418

Molecular Formula: C13H16OMolecular Weight: 188.265540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BMFYCFSWWDXEPB-UHFFFAOYSA-N

• Difluoroacetic Acid
IUPAC Name: 2,2-difluoroacetic acid | CAS Registry Number: 381-73-7
Synonyms: DIFLUOROACETIC ACID, Acetic acid, difluoro-, Difluoressigsaeure, 142859_ALDRICH, CHEBI:23716, EINECS 206-839-0, AIDS017680, AIDS-017680, BRN 1098588, TBB000649, AI3-28548, LS-11716, 4-02-00-00455 (Beilstein Handbook Reference), 3S103873, 3S210859, InChI=1/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6, 2218-52-2, 383-88-0, DFA

Molecular Formula: C2H2F2O2Molecular Weight: 96.032886 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PBWZKZYHONABLN-UHFFFAOYSA-N

• Ethyl Bromoacetate
IUPAC Name: ethyl 2-bromoacetate | CAS Registry Number: 105-36-2
Synonyms: Ethyl bromoacetate, Antol, Ethyl bromacetate, Ethyl monobromoacetate, Ethyl alpha-bromoacetate, Ethoxycarbonylmethyl bromide, Acetic acid, bromo-, ethyl ester, ETHYL 2-BROMOACETATE, Bromoacetic acid, ethyl ester, Ethyl .alpha.-bromoacetate, Bromoacetic acid ethyl ester, CCRIS 6802, WLN: E1VO2, HSDB 5069, 133973_ALDRICH, NSC 8832, 17020_FLUKA, EINECS 203-290-9, NSC8832, UN1603

Molecular Formula: C4H7BrO2Molecular Weight: 167.001180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PQJJJMRNHATNKG-UHFFFAOYSA-N

• Ethyl Bromofluoroacetate
IUPAC Name: ethyl (2S)-2-bromo-2-fluoroacetate | CAS Registry Number: 401-55-8
Synonyms: ethyl bromo(fluoro)acetate, bromofluoroacetic acid, ethyl ester, acetic acid, bromofluoro-, ethyl ester, CID637131, ZINC02584260, InChI=1/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H

Molecular Formula: C4H6BrFO2Molecular Weight: 184.991643 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ULNDTPIRBQGESN-GSVOUGTGSA-N

• Ethyl Bromoisobutyrate
IUPAC Name: ethyl 2-bromo-2-methylpropanoate | CAS Registry Number: 600-00-0
Synonyms: Ethyl 2-bromoisobutyrate, Ethyl .alpha.-bromoisobutyrate, 6-Hydroxydopamine bromide, Ethyl 2-bromo-2-methylpropionate, E14403_ALDRICH, Ethyl 2-bromo-2-methylpropanoate, CCRIS 6546, ETHYL ALPHA-BROMOISOBUTYRATE, 17440_FLUKA, NSC9465, NSC 9465, EINECS 209-980-6, NSC402034, ZINC01699997, Propanoic acid, 2-bromo-2-methyl-, ethyl ester, alpha-Bromoisobutyric acid, ethyl ester, NSC 402034, Ethyl alpha-bromo-alpha-methylpropionate, 2-Bromo-2-methylpropanoic acid, ethyl ester, .alpha.-Bromoisobutyric acid, ethyl ester

Molecular Formula: C6H11BrO2Molecular Weight: 195.054340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IOLQWGVDEFWYNP-UHFFFAOYSA-N

• Ethyl Trifluoroacetoacetate
IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate | CAS Registry Number: 372-31-6
Synonyms: Ethyl trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl (trifluoroacetyl)acetate, E50205_ALDRICH, 91670_FLUKA, NSC42739, EINECS 206-750-7, NSC 42739, SBB008825, ZINC01675532, Ethyl 3-oxo-4,4,4-trifluorobutyrate, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, AI3-52657, TL8002743, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, 3S103742, 3S211037

Molecular Formula: C6H7F3O3Molecular Weight: 184.113190 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N

• Ferrocene Carboxylic Acid
IUPAC Name: cyclopenta-2,4-diene-1-carboxylic acid; cyclopentane; iron | CAS Registry Number: 1271-42-7
Synonyms: Carboxyferrocene, Ferrocenecarboxylic acid, Ferrocene monocarboxylic acid, ferrocene carboxylic acid, CHEBI:30674

Molecular Formula: C11H10FeO2-6Molecular Weight: 230.040900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: ZJYYFGVNIWNYII-UHFFFAOYSA-N

• Indoline-2-carboxylic acid (CAS: 78348-28-0)
• M-Bromonitrobenzene
IUPAC Name: 1-bromo-3-nitrobenzene | CAS Registry Number: 585-79-5
Synonyms: M-BROMONITROBENZENE, m-Nitrobromobenzene, 1-Bromo-3-nitrobenzene, 3-Bromonitrobenzene, 3-Nitrobromobenzene, Benzene, 1-bromo-3-nitro-, BROMONITROBENZENE, CCRIS 3114, ghl.PD_Mitscher_leg0.921, NSC 7084, 17700_FLUKA, EINECS 209-563-9, NSC7084, UN2732, STK286023, ZINC01566594, AI3-09054, FS003020, LS-29209, ST5406626

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-N

• Methyl 2-Bromo Hexanoate (Caproate)
IUPAC Name: methyl 2-bromohexanoate | CAS Registry Number: 5445-19-2
Synonyms: Methyl 2-bromohexanoate, Methyl 2-bromocaproate, 16602_FLUKA, NSC21976, EINECS 226-643-9, 70288-61-8

Molecular Formula: C7H13BrO2Molecular Weight: 209.080920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YGLPDRIMFIXNBI-UHFFFAOYSA-N

• Methyl 2-Bromobutyrate
IUPAC Name: methyl 2-bromobutanoate | CAS Registry Number: 3196-15-4
Synonyms: Methyl 2-bromobutanoate, Methyl 2-bromobutyrate, 237310_ALDRICH, Butanoic acid, 2-bromo-, methyl ester, NSC21974, EINECS 221-699-0, NSC 21974, T5556360, InChI=1/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H, 69043-96-5

Molecular Formula: C5H9BrO2Molecular Weight: 181.027760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UFQQDNMQADCHGH-UHFFFAOYSA-N

• Methyl 2-Bromopropionate
IUPAC Name: methyl (2S)-2-bromopropanoate | CAS Registry Number: 5445-17-0
Synonyms: Methyl 2-bromopropanoate, ZINC01589664, Propanoic acid, 2-bromo-, methyl ester, InChI=1/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H

Molecular Formula: C4H7BrO2Molecular Weight: 167.001180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ACEONLNNWKIPTM-VKHMYHEASA-N

• N-Hydroxymethyl Phthalimide
IUPAC Name: 2-(hydroxymethyl)isoindole-1,3-dione | CAS Registry Number: 118-29-6
Synonyms: Phthalimidomethanol, Oxymethyl phthalimide, N-Methylolphthalimide, Oxymethylphthalimide, Phthalimidomethyl alcohol, Hydroxymethylphthalimide, N-(Hydroxymethyl)phthalimide, Methanol, phthalimido-, N-Hydroxymethylphthalimide, PHTHALIMIDE, N-(HYDROXYMETHYL)-, H41803_ALDRICH, ARONIS001384, CHEBI:38816, EINECS 204-241-4, NSC 27350, 2-methylolisoindoline-1,3-quinone, AIDS018409, 1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-, AIDS-018409, NSC27350

Molecular Formula: C9H7NO3Molecular Weight: 177.156780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MNSGOOCAMMSKGI-UHFFFAOYSA-N

• o-Bromoanisole
IUPAC Name: 1-bromo-2-methoxybenzene | CAS Registry Number: 578-57-4
Synonyms: 2-Bromoanisole, Anisole, o-bromo-, o-Anisyl bromide, o-Methoxybromobenzene, 2-Methoxybromobenzene, o-Methoxyphenyl bromide, 2-Methoxyphenyl bromide, Benzene, 1-bromo-2-methoxy-, 2-Bromo-1-methoxybenzene, o-Bromophenyl methyl ether, 1-BROMO-2-METHOXYBENZENE, 159239_ALDRICH, NSC 6977, 16250_FLUKA, EINECS 209-425-8, NSC6977, BRN 1859996, ZINC00164469, AI3-01057, LS-20205

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTDQSWDEWGSAMN-UHFFFAOYSA-N

• P-Hydroxyanisole
IUPAC Name: 4-methoxyphenol | CAS Registry Number: 150-76-5
Synonyms: 4-Methoxyphenol, Mequinol, Leucobasal, Mechinolum, Phenol, 4-methoxy-, 4-Hydroxyanisole, p-Methoxyphenol, p-Hydroxyanisole, Leucodine B, P-Guaiacol, Novo-Dermoquinona, Solage, Leucodinine B, Phenol, p-methoxy-, Mixture Name, HQMME, MEHQ, PMF (antioxidant), para-methoxyphenol, Mechinolo [DCIT]

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWVVVBRKAWDGAB-UHFFFAOYSA-N

• Para Bromoanisole
IUPAC Name: 1-bromo-4-methoxybenzene | CAS Registry Number: 104-92-7
Synonyms: p-Bromoanisole, Anisyl bromide, p-Bromanisole, Anisole, p-bromo-, p-Anisyl bromide, 1-Bromo-4-methoxybenzene, 4-BROMOANISOLE, p-Methoxybromobenzene, 4-Methoxybromobenzene, p-Methoxyphenyl bromide, 4-Methoxyphenyl bromide, Benzene, 1-bromo-4-methoxy-, 4-bromomethoxybenzene, 4-Methoxy-1-bromobenzene, p-Bromophenyl methyl ether, B56501_ALDRICH, NSC 8042, EINECS 203-252-1, NSC8042, ZINC00404306

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N

• Sodium Chlorodifluoroacetate
IUPAC Name: 2-chloro-2,2-difluoroacetic acid | CAS Registry Number: 1895-39-2
Synonyms: Chlorodifluoroacetic acid, sNplJqDJPtadTaeTp@, Acetic acid, chlorodifluoro-, C34200_ALDRICH, 24281_FLUKA, NSC60298, EINECS 200-928-8, NSC 60298, C102, AI3-52628, 76-04-0, 2923-14-0

Molecular Formula: C2HClF2O2Molecular Weight: 130.477946 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAWAZQITIZDJRB-UHFFFAOYSA-N

• Trifluoro Acetic Acid Ethyl Ester
IUPAC Name: ethyl 2,2,2-trifluoroacetate | CAS Registry Number: 383-63-1
Synonyms: ETHYL TRIFLUOROACETATE, Ethyl trifluoroethanoate, Acetic acid, trifluoro-, ethyl ester, E50000_ALDRICH, Trifluoroacetic acid, ethyl ester, Trifluoroacetic acid ethyl ester, EINECS 206-851-6, NSC220215, SBB008466, ZINC01755719, FR-2101, NSC 220215, AI3-52221, InChI=1/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H

Molecular Formula: C4H5F3O2Molecular Weight: 142.076510 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: STSCVKRWJPWALQ-UHFFFAOYSA-N

• Veratrole
IUPAC Name: 1,2-dimethoxybenzene | CAS Registry Number: 91-16-7
Synonyms: Veratrol, Synthol, 1,2-Dimethoxybenzene, Benzene, o-dimethoxy-, 2-Methoxyanisole, 2-Dimethoxybenzol, Benzene, 1,2-dimethoxy-, O,O-Dimethyl catechol, Guaiacol methylether, Pyrocatechol dimethyl ether, O-DIMETHOXYBENZENE, Catechol dimethyl ether, Brenzkatechindimethylether, FEMA No. 3799, NCIOpen2_004258, WLN: 1OR BO1, ghl.PD_Mitscher_leg0.397, W379905_ALDRICH, 140155_ALDRICH, Dimethylether pyrokatechinu [Czech]

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ABDKAPXRBAPSQN-UHFFFAOYSA-N

• 4-Ethoxybenzoic Acid
IUPAC Name: 4-ethoxybenzoic acid | CAS Registry Number: 619-86-3
Synonyms: p-Ethoxybenzoic acid, 4-ETHOXYBENZOIC ACID, Benzoic acid, 4-ethoxy-, Benzoic acid, p-ethoxy-, 144959_ALDRICH, ARONIS009499, Benzoic acid, p-ethoxy- (8CI), NSC8705, AIDS027805, AIDS-027805, NSC 8705, EINECS 210-616-3, SBB015394, AI3-20152, TL8004008, AH-034/32461045, InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11

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

InChIKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N

• 4-FLUORO-2-(TRIFLUOROMETHYL)BENZONITRILE (CAS: 194853-86-8)
• 1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene
IUPAC Name: 1-bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene | CAS Registry Number: 68834-05-9
Synonyms: 341908_ALDRICH, ZINC02168605, EINECS 272-431-4, CID111643, 4-Bromo-(1,1,2,2-tetrafluoroethoxy)benzene, 3S105485, Benzene, 1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-

Molecular Formula: C8H5BrF4OMolecular Weight: 273.022313 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VKJYIOCMIHTAET-UHFFFAOYSA-N

• 2,7-DIMETHOXYNAPHTHALENE (CAS: 3469-36-9)
• 2,4-Difluorobromobenzene
IUPAC Name: 1-bromo-2,4-difluorobenzene | CAS Registry Number: 348-57-2
Synonyms: 1-Bromo-2,4-difluorobenzene, Benzene, 1-bromo-2,4-difluoro-, 1-Bromo-2,4-difluoro-benzene, 263443_ALDRICH, CID67674, JRD-0065, EINECS 206-479-4, TL806164, ST5405337, InChI=1/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3

Molecular Formula: C6H3BrF2Molecular Weight: 192.988826 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MGHBDQZXPCTTIH-UHFFFAOYSA-N

• 4-Bromophenol
IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 4-Bromo-2-Fluoroaniline
IUPAC Name: 4-bromo-2-fluoroaniline | CAS Registry Number: 367-24-8
Synonyms: 4-Bromo-2-fluoroaniline, Benzenamine, 4-bromo-2-fluoro-, nchembio.2007.34-comp12, 304220_ALDRICH, ZINC00152960, EINECS 206-685-4, CID123050, B126, TL806376, ST5213767

Molecular Formula: C6H5BrFNMolecular Weight: 190.013003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

• 4-Cyano-3,5-difluorophenol
IUPAC Name: 2,6-difluoro-4-hydroxybenzonitrile | CAS Registry Number: 123843-57-2
Synonyms: 2,6-Difluoro-4-hydroxybenzonitrile, 4-hydroxy-2,6-difluorobenzonitrile, 3,5-difluoro-4-cyanophenol, 2,6-Difluoro-4-hydroxy benzonitrile, Benzonitrile, 2,6-difluoro-4-hydroxy-, 2,6-difluoro-4-hydroxybenzenecarbonitrile, SBB063847, AG-D-51079, ZINC02243358, PubChem5196, SureCN81244, ACMC-1BZ2H, AC1MCU11, 3.5-Difluoro-4-cyanophenol, KSC495C8F, Jsp001591, CTK3J5182, MolPort-000-150-717, ACT12409, 2,6-difluoro-4-hydroxy-benzonitrile

Molecular Formula: C7H3F2NOMolecular Weight: 155.101626 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KEIYYIGMDPTAPL-UHFFFAOYSA-N

• 1-Bromo-3,4,5-Trifluorobenzene
IUPAC Name: 1-bromo-2,4,5-trifluorobenzene | CAS Registry Number: 327-52-6
Synonyms: 1-Bromo-2,4,5-trifluorobenzene, Ambap2871, 247979_ALDRICH, Benzene, 1-bromo-2,4,5-trifluoro-, JRD-0168, EINECS 206-318-8, TL8002467, InChI=1/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N

• 3-chloro-4-fluorobenzaldehyde
IUPAC Name: 3-chloro-4-fluorobenzaldehyde | CAS Registry Number: 34328-61-5
Synonyms: 3-Chloro-4-fluorobenzaldehyde, 306002_ALDRICH, ZINC00165047, JRD-0321, CID593866, SBB003984, InChI=1/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4

Molecular Formula: C7H4ClFOMolecular Weight: 158.557463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GVORVQPNNSASDM-UHFFFAOYSA-N

• 4-Bromo-2-fluorobenzonitrile
IUPAC Name: 4-bromo-2-fluorobenzonitrile | CAS Registry Number: 105942-08-3
Synonyms: 465240_ALDRICH, ZINC00155137, CID736029, B144, TL806456, ST5319386, AA-516/30054037

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HGXWRDPQFZKOLZ-UHFFFAOYSA-N

• 4-N-Hexylphenol
IUPAC Name: 4-hexylphenol | CAS Registry Number: 2446-69-7
Synonyms: 4-n-Hexylphenol, p-Hexylphenol, Phenol, 4-hexyl-, p-n-Hexylphenol, Phenol, p-hexyl-, 4-HEXYLPHENOL, Diisopropyl azodicarboxylate, CID17132, EINECS 219-501-2, ZINC01577480, TL8002009, EU-0034692, LT03510421, C14465

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SZWBRVPZWJYIHI-UHFFFAOYSA-N

• 4-Tert-Butylcalix[8]Arene
Synonyms: 4-tert-Butylcalix[8]arene, NCIStruc1_000782, NCIStruc2_001502, NSC344028, 347531_ALDRICH, 19724_FLUKA, CID434172, NCGC00014792, NCI344028, NSC-344028, NCGC00097893-01, T6292280, 106750-70-3, 121612-88-2, 123369-48-2, 142639-45-0, 150335-48-1, 152165-59-8, 376396-34-8, 406713-69-7

Molecular Formula: C88H112O8Molecular Weight: 1297.826080 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 8

InChIKey: OLZFZIXORGGLLS-UHFFFAOYSA-N

• 2,2,3,3-Tetrafluoropropanol
IUPAC Name: 2,2,3,3-tetrafluoropropan-1-ol | CAS Registry Number: 76-37-9
Synonyms: Tetrafluoropropyl alcohol, 2,2,3,3-Tetrafluoro-1-propanol, WLN: Q1XFFYFF, 2,2,3,3-Tetrafluoropropyl alcohol, NSC 113, 1,1,3-Trihydroperfluoro-1-propanol, 326275_ALDRICH, NSC113, 1-Propanol, 2,2,3,3-tetrafluoro-, 1H,1H,3H-Tetrafluoro-1-propanol, 2,2,3,3-Tetrafluoropropan-1-ol, 87270_FLUKA, EINECS 200-955-5, CID6441, 2,2,3,3-TETRAFLUOROPROPANOL, BB_SC-0393, BRN 1738264, ZINC01555301, AI3-23784, T107

Molecular Formula: C3H4F4OMolecular Weight: 132.056873 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N

• 3-Fluorophenol
IUPAC Name: 3-fluorophenol | CAS Registry Number: 372-20-3
Synonyms: 3-FLUOROPHENOL, Phenol, 3-fluoro-, m-Fluorophenol, Phenol, m-fluoro-, Ambap4386, 3-FLUORO-PHENOL, NCIOpen2_001026, Phenol, m-fluoro- (8CI), F13002_ALDRICH, Phenol, 3-fluoro- (9CI), 47271_FLUKA, NSC87078, EINECS 206-748-6, NSC 87078, ZINC00164911, F135, TL8002741, InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SJTBRFHBXDZMPS-UHFFFAOYSA-N

• 4-Bromo-2-Fluorobiphenyl
IUPAC Name: 4-bromo-2-fluoro-1-phenylbenzene | CAS Registry Number: 41604-19-7
Synonyms: 4-Bromo-2-fluorobiphenyl, 367583_ALDRICH, 1,1'-Biphenyl, 4-bromo-2-fluoro-, 4-Bromo-2-fluoro-1,1'-biphenyl, EINECS 255-453-9, ST5408568, 3S104240

Molecular Formula: C12H8BrFMolecular Weight: 251.094323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTRNHWBOBYFTQF-UHFFFAOYSA-N

• 3,4,5-Trifluorophenol
IUPAC Name: 3,4,5-trifluorophenol | CAS Registry Number: 99627-05-1
Synonyms: Ambap7730, 51092_FLUKA, 65987_FLUKA, ZINC02584330, JRD-0229, CID2777943, TL8006074

Molecular Formula: C6H3F3OMolecular Weight: 148.082630 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZRTWIJKGTUGZJY-UHFFFAOYSA-N

• 4-n-Pentylphenol
IUPAC Name: 4-pentylphenol | CAS Registry Number: 14938-35-3
Synonyms: p-Amylphenol, p-Pentylphenol, Phenol, p-pentyl-, 4-Amylphenol, Phenol, 4-pentyl-, 4-PENTYLPHENOL, 4-n-Amylphenol, Amyl p-hydroxybenzene, SGCUT00115, 77102_FLUKA, EINECS 239-015-4, to_000011, BRN 1364424, ZINC01673952, LS-105039, ST5405718, TL8001075, C14466, 4-06-00-03370 (Beilstein Handbook Reference), 65916-15-6

Molecular Formula: C11H16OMolecular Weight: 164.244140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N

• 4-n-Pentylcyclohexanone
IUPAC Name: 4-pentylcyclohexan-1-one | CAS Registry Number: 61203-83-6
Synonyms: 4-Pentylcyclohexanone, 4-Pentylcyclohexanon, 4-Pentylcyclohexanon [Dutch], 4-Pentylcyclohexanon [Danish], 4-Pentylcyclohexanon [German], 4-Pentilcicloesanone [Italian], 4-Pentylcyclohexanone [French], 4-Pentilciclohexanona [Spanish], 4-Pentilciclohexanona [Portuguese], ZINC02522864, EE4066704, ST5407283

Molecular Formula: C11H20OMolecular Weight: 168.275900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UKLNPJDLSPMJMQ-UHFFFAOYSA-N

• 3 Bromophenol
IUPAC Name: 3-bromophenol | CAS Registry Number: 591-20-8
Synonyms: m-Bromophenol, Phenol, 3-bromo-, 3-BROMOPHENOL, Phenol, m-bromo-, Ambap1480, 101079_ALDRICH, EINECS 209-706-5, ZINC00388034, TL80073617, InChI=1/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MNOJRWOWILAHAV-UHFFFAOYSA-N

• 1-Bromo 3 4 5-Trifluoro Benzene
IUPAC Name: 5-bromo-1,2,3-trifluorobenzene | CAS Registry Number: 138526-69-9
Synonyms: 1-Bromo-3,4,5-trifluorobenzene, 5-Bromo-1,2,3-trifluorobenzene, 330841_ALDRICH, JRD-0167, ST5405271, TL8000876, InChI=1/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2

Molecular Formula: C6H2BrF3Molecular Weight: 210.979290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HKJCELUUIFFSIN-UHFFFAOYSA-N

• 2-Fluorobiphenyl
IUPAC Name: 1-fluoro-2-phenylbenzene | CAS Registry Number: 321-60-8
Synonyms: o-Fluorodiphenyl, ortho-Fluorodiphenyl, Biphenyl, 2-fluoro-, 2-Fluoro-1,1'-biphenyl, 1,1'-Biphenyl, 2-fluoro-, CCRIS 1659, 102741_ALDRICH, EINECS 206-290-7, NSC 10366, NSC10366, LS-44386, ST5406227

Molecular Formula: C12H9FMolecular Weight: 172.198263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KLECYOQFQXJYBC-UHFFFAOYSA-N

• 4-Fluorophenol
IUPAC Name: 4-fluorophenol | CAS Registry Number: 371-41-5
Synonyms: 4-FLUOROPHENOL, Phenol, p-fluoro-, p-Fluorophenol, Phenol, 4-fluoro-, CCRIS 665, F13207_ALDRICH, EINECS 206-736-0, NSC 10295, NSC10295, BRN 1362752, ZINC00164463, TL806436, LS-104664, ST5214377, C16485, 4-06-00-00773 (Beilstein Handbook Reference), FPN

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RHMPLDJJXGPMEX-UHFFFAOYSA-N

• 3-Bromoaniline
IUPAC Name: 3-bromoaniline | CAS Registry Number: 591-19-5
Synonyms: m-Bromoaniline, Aniline, m-bromo-, 3-BROMOANILINE, Benzenamine, 3-bromo-, m-Aminobromobenzene, 3-Bromobenzenamine, Aniline, m-bromo- (8CI), 180025_ALDRICH, 16210_FLUKA, EINECS 209-704-4, NSC 10298, NSC10298, BRN 0742028, ZINC03861310, LS-28107, ST5213806, TL8003774, 4-12-00-01491 (Beilstein Handbook Reference), InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DHYHYLGCQVVLOQ-UHFFFAOYSA-N

• 4-n-Propoxyphenol
IUPAC Name: 4-propoxyphenol | CAS Registry Number: 18979-50-5
Synonyms: p-Propoxyphenol, Phenol, 4-propoxy-, Phenol, p-propoxy-, 4-PROPOXYPHENOL, p-Propoxy phenol, Hydroquinone monopropyl ether, Phenol, p-propoxy- (8CI), 230677_ALDRICH, NSC82358, NSC 82358, STK081310, ZINC01631229, InChI=1/C9H12O2/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,10H,2,7H2,1H

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KIIIPQXXLVCCQP-UHFFFAOYSA-N

• 4-n-Propoxybenzoic acid
IUPAC Name: 4-propoxybenzoic acid | CAS Registry Number: 5438-19-7
Synonyms: 4-Propoxybenzoic acid, p-Propoxybenzoic acid, Enamine_004326, Benzoic acid, p-propoxy-, Benzoic acid, 4-propoxy-, p-(n-Propoxy)benzoic acid, MLS000776293, 366390_ALDRICH, ARONIS010002, AIDS027806, AIDS-027806, ALBB-000777, NSC16632, CID138500, SBB006543, FR-1009, SMR000371296

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GDFUWFOCYZZGQU-UHFFFAOYSA-N

• 4-Tert-Butylcalix[6]Arene
Synonyms: 4-tert-Butylcalix[6]arene, 363693_ALDRICH, 19723_FLUKA, CHEBI:51251, NSC344029, JFD00655, CID335356, 5,11,17,23,29,35-hexa-tert-butylheptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol

Molecular Formula: C66H84O6Molecular Weight: 973.369560 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 6

InChIKey: UOEYZAXKBKAKRO-UHFFFAOYSA-N

• 3-Bromoanisole
IUPAC Name: 1-bromo-3-methoxybenzene | CAS Registry Number: 2398-37-0
Synonyms: m-Bromoanisole, Anisole, m-bromo-, m-Bromomethoxybenzene, m-Methoxybromobenzene, 3-Methoxybromobenzene, 3-Methoxy-1-bromobenzene, Benzene, 1-bromo-3-methoxy-, m-Bromophenyl methyl ether, 1-BROMO-3-METHOXYBENZENE, Anisole, m-bromo- (8CI), B56498_ALDRICH, NSC82293, EINECS 219-264-5, NSC 82293, SBB007886, ZINC00164414, FR-0521, TL8001981, B-5680, B-5700

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

• 2,6-Difluoroanisole
IUPAC Name: 1,3-difluoro-2-methoxybenzene | CAS Registry Number: 437-82-1
Synonyms: 2,6- Difluoroanisole, ZINC02512335, JRD-0818, CID2736897, TL8003065

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IOBWAHRFIPQEQL-UHFFFAOYSA-N

• 2-Bromophenyl acetic acid
IUPAC Name: 2-(2-bromophenyl)acetic acid | CAS Registry Number: 18698-97-0
Synonyms: 2-Bromophenylacetic acid, o-Bromophenylacetic acid, (2-bromophenyl)acetic acid, 260061_ALDRICH, EINECS 242-509-2, SBB006626, TL8001515

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWXSYDKEWORWBT-UHFFFAOYSA-N


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