AG003IAP

728-80-3 | Phenyl(3-(trifluoromethyl)phenyl)methanol

AG003IAP

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CAS Number	728-80-3
Catalog Number	AG003IAP(AGN-PC-0U1IFH)
Chemical Name	Phenyl(3-(trifluoromethyl)phenyl)methanol
IUPAC Name	phenyl-[3-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C14H11F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,13,18H
InChI Key	KRMIEGLFYDWJOT-UHFFFAOYSA-N
MDL Number	MFCD00014397
Molecular Formula	C14H11F3O
Molecular Weight	252.2317
SMILES	c1cccc(c1)C(c1cccc(c1)C(F)(F)F)O
Synonyms	3-(Trifluoromethyl)benzhydrol, 728-80-3, Phenyl(3-(trifluoromethyl)phenyl)methanol, 5-(Trifluoromethyl)benzhydrol, 3-Trifluoromethylbenzhydrol, 3-(Trifluoromethyl)Benzohydrol, 210170-96-0, phenyl[3-(trifluoromethyl)phenyl]methanol, m-TRIFLUOROMETHYLBENZHYDROL, Benzenemethanol, a-phenyl-3-(trifluoromethyl)-, MFCD00014397, phenyl-[3-(trifluoromethyl)phenyl]methanol, PHENYL 3-TRIFLUOROMETHYLPHENYL CARBINOL, phenyl[3-(trifluoromethyl)phenyl]methan-1-ol, AC1MCROT, AC1Q76QV, SCHEMBL4135655, CTK5D6982, DTXSID30380509, KRMIEGLFYDWJOT-UHFFFAOYSA-N, HMS1577C22, MIX-0078, ZX-AP006337, ZX-BK000683, 3-(Trifluoromethyl)benzhydrol, 97%, 8844AE, BBL018576, CK1132, PC7513, SBB101095, STK887524, AKOS001476385, AS06233, AS06234, CM13906, CM13907, FS-4167, LS41085, MCULE-3006551145, QC-1509, VZ26151, SEL10381625, SEL14859866, (3-trifluoromethylphenyl)(phenyl)methanol, AC-11414, AK130292, CC-12788, Phenyl(3-(triflouromethyl)phenyl)methanol, 3-(TRIFLUOROMETHYL)DIPHENYLMETHANOL, (3-(trifluoromethyl)phenyl)(phenyl)methanol, AB0087282, AX8015208, DB-021770, TR-023738, 4CH-022269, FT-0613927, ST24048905, ST50320172, alpha-phenyl-3-(trifluoromethyl)benzenemethanol, Z-2530, AB00073784-01, A824600, A837651, C-15565, SR-01000406315, SR-01000406315-1, I01-14788, 3- BENZHYDROL, C14H11F3O, ZINC00156398, CID2777404, 3-(Trifluoromethyl)benzhydrol, 98% - 1G 1g, 395-23-3,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.076g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.236g/mol
Monoisotopic Mass	252.076g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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

Lot Number