AG002S5P

261945-05-5 | Benzoic acid, 2,5-difluoro-4-(trifluoromethyl)-

AG002S5P

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CAS Number	261945-05-5
Catalog Number	AG002S5P(AGN-PC-09TBXU)
Chemical Name	Benzoic acid, 2,5-difluoro-4-(trifluoromethyl)-
IUPAC Name	2,5-difluoro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3F5O2/c9-5-2-4(8(11,12)13)6(10)1-3(5)7(14)15/h1-2H,(H,14,15)
InChI Key	DMVHPNBSOAALGT-UHFFFAOYSA-N
MDL Number	MFCD01631618
Molecular Formula	C8H3F5O2
Molecular Weight	226.1002
SMILES	OC(C1=C(F)C=C(C(F)(F)F)C(F)=C1)=O
Synonyms	2,5-DIFLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID, 261945-05-5, 3,6-Difluoro-4-(trifluoromethyl)benzoic acid, PubChem12003, SCHEMBL12725573, CTK8H8862, DTXSID00702810, ZINC2382331, MFCD01631618, AKOS022171868, CM12688, AJ-34835, AX8257998, DB-067568, FT-0730061, EN300-172621, A818302, Benzoic acid, 2,5-difluoro-4-(trifluoromethyl)-, 2,5-bis(fluoranyl)-4-(trifluoromethyl)benzoic acid, Z2082999898, 2,5-DIFLUORO-4- BENZOICACID, ACN-056580,

Complexity	252
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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