AG002N49

234082-35-0 | Benzoic acid, 3-chloro-4-fluoro-, methyl ester

AG002N49

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CAS Number	234082-35-0
Catalog Number	AG002N49(AGN-PC-01LMCP)
Chemical Name	Benzoic acid, 3-chloro-4-fluoro-, methyl ester
IUPAC Name	methyl 3-chloro-4-fluorobenzoate
InChI	InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key	RUTYNTBIMOCJMW-UHFFFAOYSA-N
MDL Number	MFCD06203675
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	ClC=1C=C(C(=O)OC)C=CC1F
Synonyms	Methyl 3-chloro-4-fluorobenzoate, 234082-35-0, Benzoic acid, 3-chloro-4-fluoro-, methyl ester, MFCD06203675, SCHEMBL365353, ACMC-209g33, Methyl3-Chloro-4-fluorobenzoate, CTK0I7959, KS-00000BIT, DTXSID10589912, methyl-3-chloro-4-fluorobenzoate, RUTYNTBIMOCJMW-UHFFFAOYSA-N, ACT00859, ANW-25117, ZINC20220766, AKOS000299993, CS-W006070, MCULE-5835455449, RP03622, TRA0035183, AJ-76361, AK-72962, AM808187, BR-72962, CJ-16572, SC-41665, SY011950, AB0023620, AB1008520, ST2413348, TR-036221, 3-Chloro-4-fluoro-benzoic acid methyl ester, 4CH-009889, BB 0244803, FT-0751319, W4715, MFCD06203675 (97+%), W-206827, null, C8H6ClFO2, 3-Chloro-4-fluoro Methyl benzoate, ACN-050313, AS-8558, B-8050, 918967-32-5,

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	2.6

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