AG002S5O

261945-09-9 | Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-

AG002S5O

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CAS Number	261945-09-9
Catalog Number	AG002S5O(AGN-PC-0R242I)
Chemical Name	Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-
IUPAC Name	3,5-difluoro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3F5O2/c9-4-1-3(7(14)15)2-5(10)6(4)8(11,12)13/h1-2H,(H,14,15)
InChI Key	MKESWMDKZFRERU-UHFFFAOYSA-N
MDL Number	MFCD01631619
Molecular Formula	C8H3F5O2
Molecular Weight	226.1002
SMILES	O=C(O)c1cc(F)c(c(F)c1)C(F)(F)F
Synonyms	3,5-Difluoro-4-(trifluoromethyl)benzoic acid, 261945-09-9, MFCD01631619, 3, 5-Difluoro-4-(trifluoromethyl)benzoic acid, Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-, PubChem12004, SCHEMBL3875496, CTK4F7344, DTXSID30634195, WT522, ACT00764, KS-000001DT, ZINC2382332, ANW-46727, SBB052750, TD1037, AKOS015890026, AM61436, CM12691, MCULE-1078784211, NE53592, AC-28678, AJ-34836, AK-81423, AN-29203, DS-16220, SC-98236, 3,5-Difluoro-4-trifluoroMethylbenzoic acid, DB-067569, ST2404630, TC-135472, 4CH-018164, FT-0656853, ST50949572, W4960, Benzoic acid,3,5-difluoro-4-(trifluoromethyl)-, A818303, 3,5-bis(fluoranyl)-4-(trifluoromethyl)benzoic acid, I01-5037, Z1863617763, 261945-09-9 3,5-difluoro-4-(trifluoromethyl)benzoic acid, C8H3F5O2,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.102g/mol
Monoisotopic Mass	226.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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