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1 [2]

• 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:	C₈H₇BrO₂	Molecular Weight:	215.043980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DWXSYDKEWORWBT-UHFFFAOYSA-N

• 4-N-Butoxyphenol

IUPAC Name: 3-butoxyphenol | CAS Registry Number: 18979-72-1
Synonyms: 3-Butoxyphenol, Phenol, 3-butoxy-, NSC35992, CID87876, EINECS 242-715-2, ZINC01668532, BBV-2069330

Molecular Formula:	C₁₀H₁₄O₂	Molecular Weight:	166.216960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VGIJZDWQVCXVNL-UHFFFAOYSA-N

• 4-N-PENTYLOXYPHENOL (CAS: 18975-53-8)

• 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:	C₆H₅BrFN	Molecular Weight:	190.013003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

• 1,2-Dimethoxybenzene

IUPAC Name: 1,2-dimethoxybenzene | CAS Registry Number: 91-16-7
Synonyms: Veratrole, Veratrol, Synthol, 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:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ABDKAPXRBAPSQN-UHFFFAOYSA-N

• 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:	C₈H₅BrF₄O	Molecular Weight:	273.022313 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VKJYIOCMIHTAET-UHFFFAOYSA-N

• 2,7-DIMETHOXYNAPHTHALENE (CAS: 3469-36-9)

• 3-Chloro-4-Fluorobromobenzene

IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene | CAS Registry Number: 60811-21-4
Synonyms: 4-Bromo-2-chloro-1-fluorobenzene, 3-chloro-4-fluorobromobenzene, 1-Bromo-3-chloro-4-fluorobenzene, 3-Chloro-4-fluorobenzene bromide, 4-Bromo-2-chlorofluorobenzene, ST50408594, PubChem2169, ACMC-209mma, AC1MT0NM, SureCN330695, KSC493O4N, 4-bromo-2-chloro-fluorobenzene, 432229_ALDRICH, CTK3J3746, MolPort-000-151-812, OTAVA-BB 1287445, AKOS 91987, ACT12570, 3-Chloro-4-fluorobromobenzene 98%, ANW-33584

Molecular Formula:	C₆H₃BrClF	Molecular Weight:	209.443423 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CJTIWGBQCVYTQE-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:	C₉H₁₂O₂	Molecular Weight:	152.190380 [g/mol]
H-Bond Donor:	1	H-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:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-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:	C₆₆H₈₄O₆	Molecular Weight:	973.369560 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	6

InChIKey: UOEYZAXKBKAKRO-UHFFFAOYSA-N

• 2-Bromo-4-cyanophenol

IUPAC Name: 3-bromo-4-hydroxybenzonitrile | CAS Registry Number: 2315-86-8
Synonyms: 3-Bromo-4-hydroxybenzonitrile, 652563_ALDRICH, ZINC00157220, CID75341, EINECS 219-022-9, SBB005818, FR-2151

Molecular Formula:	C₇H₄BrNO	Molecular Weight:	198.016760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HLHNOIAOWQFNGW-UHFFFAOYSA-N

• 4-Ethoxyphenol

IUPAC Name: 4-ethoxyphenol | CAS Registry Number: 622-62-8
Synonyms: Phenol, 4-ethoxy-, Phenol, p-ethoxy-, 4-Ethyloxyphenol, p-Hydroxyphenetole, Ethoxyphenol, p-, P-ETHOXYPHENOL, Hydroquinone monoethyl ether, 1-Ethoxy-4-hydroxybenzene, FEMA No. 3695, 258598_ALDRICH, NSC 9885, EINECS 210-748-1, NSC9885, CID12150, BRN 1907114, HYDROQUINONE MONO ETHYL ETHER, ZINC00145734, Ether monoethylique de l'hydroquinone [French], LS-104609, ST5198268

Molecular Formula:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LKVFCSWBKOVHAH-UHFFFAOYSA-N

• 4-Bromo-2,6-difluoroaniline

IUPAC Name: 4-bromo-2,6-difluoroaniline | CAS Registry Number: 67567-26-4
Synonyms: 327867_ALDRICH, 4-Bromo-2,6-difluorobenzenamine, ZINC00159313, CID610191, ST5319940, TL8004764, 3S105408, InChI=1/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H

Molecular Formula:	C₆H₄BrF₂N	Molecular Weight:	208.003466 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BFQSQUAVMNHOEF-UHFFFAOYSA-N

• 4-N-Butylcyclohexanone

IUPAC Name: 4-butylcyclohexan-1-one | CAS Registry Number: 61203-82-5
Synonyms: 4-butylcyclohexan-1-one, 4-Butyl-cyclohexanone, 4-Butylcyclohexanone, AC1LBWOJ, PubChem20238, trans-4-butylcyclohexanone, SureCN918598, CTK2F2962, SBB059680, ZINC16637740, AKOS006279917, AG-G-22735, AK-50748, BR-50748, KB-40024, 9093P, ST51044589, W7348, cyclohexanone, 4-butyl-;4-n-Butylcyclohexanone;, I14-6931

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CKUNTDNDGXPOPB-UHFFFAOYSA-N

• 4-N-Butoxybenzoic Acid

IUPAC Name: 4-butoxybenzoic acid | CAS Registry Number: 1498-96-0
Synonyms: 4-Butoxybenzoic acid, p-Butoxybenzoic acid, p-Butyloxybenzoic acid, 4-Butyloxybenzoic acid, p-n-Butoxybenzoic acid, Benzoic acid, 4-butoxy-, p-n-Butyloxybenzoic acid, Benzoic acid, p-butoxy-, MLS000048769, 124206_ALDRICH, ARONIS023692, MolPort-000-152-487, AIDS027807, AIDS-027807, ALBB-000781, CID72971, NSC60247, EINECS 216-104-6, STK016466, FR-1010

Molecular Formula:	C₁₁H₁₄O₃	Molecular Weight:	194.227060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LAUFPZPAKULAGB-UHFFFAOYSA-N

• 4-n-butyl cyclohexyl benzene

IUPAC Name: (4-butylcyclohexyl)benzene | CAS Registry Number: 61203-95-0
Synonyms: (4-BUTYLCYCLOHEXYL)BENZENE, 37909-94-7, PubChem2519, (4-butylcyclohexy)benzene, CTK5B2843, AKOS015964014, AG-C-29883, AG-G-22737, AC-18381, KB-43712, TRANS-1-BUTYL-4-PHENYLCYCLOHEXANE, KB-193534

Molecular Formula:	C₁₆H₂₄	Molecular Weight:	216.361760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WMWOAQARUZYORF-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:	C₃H₄F₄O	Molecular Weight:	132.056873 [g/mol]
H-Bond Donor:	1	H-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:	C₆H₅FO	Molecular Weight:	112.101703 [g/mol]
H-Bond Donor:	1	H-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:	C₁₂H₈BrF	Molecular Weight:	251.094323 [g/mol]
H-Bond Donor:	0	H-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:	C₆H₃F₃O	Molecular Weight:	148.082630 [g/mol]
H-Bond Donor:	1	H-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:	C₁₁H₁₆O	Molecular Weight:	164.244140 [g/mol]
H-Bond Donor:	1	H-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:	C₁₁H₂₀O	Molecular Weight:	168.275900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UKLNPJDLSPMJMQ-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:	C₇H₇BrO	Molecular Weight:	187.033880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N