AG0054EU

799814-32-7 | 2-(Difluoromethyl)benzoic acid

AG0054EU

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CAS Number	799814-32-7
Catalog Number	AG0054EU(AGN-PC-00AC55)
Chemical Name	2-(Difluoromethyl)benzoic acid
IUPAC Name	2-(difluoromethyl)benzoic acid
InChI	InChI=1S/C8H6F2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7H,(H,11,12)
InChI Key	CCADJZMMYROPCV-UHFFFAOYSA-N
MDL Number	MFCD16140191
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(O)C1=CC=CC=C1C(F)F
Synonyms	2-(difluoromethyl)benzoic Acid, 799814-32-7, 2-difluoroMethylbenzoic acid, Benzoic acid, 2-(difluoromethyl)-, SCHEMBL465752, CTK2F9225, DTXSID80467591, CCADJZMMYROPCV-UHFFFAOYSA-N, 9913AE, CL8042, MFCD16140191, ZINC77010440, AKOS005258369, CS-W000090, FCH1172081, PC48345, AK158494, AS-45988, SY027876, 2-(Difluoromethyl)benzoic acid, AldrichCPR, AB0087395, AJ-122287, AX8267134, FT-0684605, ST24039637, MFCD16140191 (95%), X-3683, X-4265, C8H6F2O2, CID11499292,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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