AG003B7C

32890-89-4 | 2-Chloro-6-fluoro-3-methylbenzoic acid

AG003B7C

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CAS Number	32890-89-4
Catalog Number	AG003B7C(AGN-PC-0KKVLL)
Chemical Name	2-Chloro-6-fluoro-3-methylbenzoic acid
IUPAC Name	2-chloro-6-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6ClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	VCNCNVOMGXWTBZ-UHFFFAOYSA-N
MDL Number	MFCD01631359
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	CC1=CC=C(F)C(C(O)=O)=C1Cl
Synonyms	2-Chloro-6-fluoro-3-methylbenzoic acid, 32890-89-4, MFCD01631359, Benzoic acid, 2-chloro-6-fluoro-3-methyl-, AC1MCNAG, 2-chloro-6-fluoro-3-methyl-benzoic Acid, ACMC-1CSYZ, SCHEMBL2430970, CTK1C2017, DTXSID10378626, 2-Chloro-6-fluoro-m-toluic acid, VCNCNVOMGXWTBZ-UHFFFAOYSA-N, JRD-1040, KS-00003R9D, ZINC2574972, ZX-AP001913, ANW-55601, BBL101322, FCH918110, PC0097, SBB090853, STL555118, methyl 2-chloro-6-fluorobenzoic acid, AKOS005258437, MCULE-9538928036, PS-8434, ACM32890894, AJ-42297, AK-61763, CC-10105, AB0042635, AX8005878, DB-020874, ST2404357, TR-013804, FT-0611846, ST50407358, Z0516, 2-chloranyl-6-fluoranyl-3-methyl-benzoic acid, Q-7565, A821493, C-07853, I01-13953, C8H6ClFO2, CID2773668,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/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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