AG00FGQ2

74733-29-2 | Methyl 2-fluoro-4-methylbenzoate

AG00FGQ2

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CAS Number	74733-29-2
Catalog Number	AG00FGQ2(AGN-PC-021221)
Chemical Name	Methyl 2-fluoro-4-methylbenzoate
IUPAC Name	methyl 2-fluoro-4-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3
InChI Key	LLOLLEPUQXDZSG-UHFFFAOYSA-N
MDL Number	MFCD06204168
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	C(=O)(OC)c1c(F)cc(cc1)C
Synonyms	METHYL 2-FLUORO-4-METHYLBENZOATE, 74733-29-2, 2-Fluoro-4-methyl-benzoic acid methyl ester, Benzoic acid, 2-fluoro-4-methyl-, methyl ester, SCHEMBL507988, DTXSID20596016, Methyl=2-fluoro-4-methylbenzoate, LLOLLEPUQXDZSG-UHFFFAOYSA-N, MFCD06204168, ZINC44200122, AKOS006291946, NE57103, AK199121, AS-43004, DA-03721, SC-54866, 2-Fluoro-4-methylbenzoic acid methyl ester, FT-0718208, J3.496.432G,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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