AG003B31

1171-47-7 | 4-[1-(4-carboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzoic acid

AG003B31

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CAS Number	1171-47-7
Catalog Number	AG003B31(AGN-PC-0JU4ND)
Chemical Name	4-[1-(4-carboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzoic acid
IUPAC Name	4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
InChI	InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
InChI Key	PHQYMDAUTAXXFZ-UHFFFAOYSA-N
MDL Number	MFCD00040931
Molecular Formula	C17H10F6O4
Molecular Weight	392.2493
SMILES	FC(F)(F)C(C1=CC=C(C=C1)C(O)=O)(C2=CC=C(C=C2)C(O)=O)C(F)(F)F
Synonyms	1171-47-7, 2,2-Bis(4-carboxyphenyl)hexafluoropropane, 4,4'-(Perfluoropropane-2,2-diyl)dibenzoic acid, Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, 2,2-Bis[4-carboxyphenyl]hexafluoropropane, 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid, 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid), 4-[1-(4-carboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzoic acid, Benzoic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-, C17H10F6O4, AC1LCNLJ, ACMC-1C1GJ, SCHEMBL336470, DTXSID1061576, CTK4B0166, PHQYMDAUTAXXFZ-UHFFFAOYSA-N, KS-00000YX0, ZINC4293544, ZX-AP001524, 2795AA, ANW-17005, MFCD00040931, PC1226, AKOS005063971, MCULE-2169376405, AJ-50386, AK-54774, AN-48758, CC-06409, PS-10988, 2,2-Bis-(4-carboxyphenyl)hexafluoropropane, AX8215328, DB-041352, TR-003073, FT-0609170, ST24023016, ST50997688, 4,4'-(hexafluoroisopropylidene)dibenzoic acid, K-1173, A803724, C-21566, J-003518, I14-26427, 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid), 98%, 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)dibenzoic acid, Benzoic acid,4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]benzoic acid, CID633763, C17-H10-F6-O4, B1401, 4,4'-(Perfluoropropane-2,2-diyl)dibenzoicacid, 2,2-Bis(4-carboxyphenyl)hexafluoropropane 250g, 2,2-Bis(4-carboxyphenyl)hexafluoropropane, 98% - 25G 25g,

Complexity	505
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.048g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	392.253g/mol
Monoisotopic Mass	392.048g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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