AG002IGH

206362-87-0 | Benzoic acid, 4-chloro-3-fluoro-, methyl ester

AG002IGH

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CAS Number	206362-87-0
Catalog Number	AG002IGH(AGN-PC-0KL0JR)
Chemical Name	Benzoic acid, 4-chloro-3-fluoro-, methyl ester
IUPAC Name	methyl 4-chloro-3-fluorobenzoate
InChI	InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key	ZVXWVVRTWLVZKV-UHFFFAOYSA-N
MDL Number	MFCD00209299
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	C(=O)(OC)c1cc(F)c(cc1)Cl
Synonyms	methyl 4-chloro-3-fluorobenzoate, 206362-87-0, Methyl-4-chloro-3-fluorobenzoate, Benzoic acid, 4-chloro-3-fluoro-, methyl ester, AC1MCYQL, SCHEMBL15968586, CTK4E4747, KS-00000ODH, DTXSID70381712, ZVXWVVRTWLVZKV-UHFFFAOYSA-N, ZINC162652, ACT00371, ANW-50351, MFCD00209299, SBB053779, AKOS015920030, CS-W002513, DS-1037, PS-8432, RTR-036114, AJ-15933, AK-39900, BR-39900, CJ-02050, SY023704, 4-Chloro-3-fluorobenzoic acid methyl ester, AB0023310, TR-036114, 4CH-002461, AM20050169, FT-0766924, ST24031100, W4339, MFCD00209299 (95%), TL800742044, S-2215, W-201802, C8H6ClFO2, ZINC00162652, CID2780856,

Complexity	174
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	0
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number