AG002S2D

261763-37-5 | Benzoic acid, 2,3-difluoro-4-methyl-

AG002S2D

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CAS Number	261763-37-5
Catalog Number	AG002S2D(AGN-PC-0KKVY4)
Chemical Name	Benzoic acid, 2,3-difluoro-4-methyl-
IUPAC Name	2,3-difluoro-4-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H,11,12)
InChI Key	ANVIYYKETYLSRV-UHFFFAOYSA-N
MDL Number	MFCD01631643
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	C(=O)(O)c1c(F)c(F)c(cc1)C
Synonyms	2,3-Difluoro-4-methylbenzoic acid, 261763-37-5, 2,3-difluoro-p-toluic acid, 2,3-difluoro-4-methyl-benzoic Acid, benzoic acid, 2,3-difluoro-4-methyl-, AC1MCNZZ, 2,3-DIFLUORO-4-METHYLBENZOICACID, ACMC-1CQ52, SCHEMBL489533, CTK4F7288, DTXSID30378906, ANVIYYKETYLSRV-UHFFFAOYSA-N, JRD-0991, KS-00000ZY6, ZINC2382363, 2269AB, ANW-55955, MFCD01631643, SBB088583, AKOS005258509, Benzoic acid,2,3-difluoro-4-methyl-, AM62253, QC-7690, RTR-011882, VZ22233, AJ-34842, AK-48081, BP-11332, DS-14556, SC-69028, 2,3-bis(fluoranyl)-4-methyl-benzoic acid, 2,3 - Difluoro - 4 - methylbenzoic acid, AB0070123, ST2403603, TL8002093, FT-0609604, ST50407338, 2,3-Difluoro-4-methylbenzoic acid, AldrichCPR, Y-8828, A818287, I01-15056, Z1741958281, C8H6F2O2, CID2774141,

Complexity	184
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	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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