AG002Z1J

2967-93-3 | Benzoic acid, 2-fluoro-5-methyl-, methyl ester

AG002Z1J

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CAS Number	2967-93-3
Catalog Number	AG002Z1J(AGN-PC-03T0NV)
Chemical Name	Benzoic acid, 2-fluoro-5-methyl-, methyl ester
IUPAC Name	methyl 2-fluoro-5-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,1-2H3
InChI Key	KPJYZNQMHXINEO-UHFFFAOYSA-N
MDL Number	MFCD06203924
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	COC(=O)C1=C(F)C=CC(C)=C1
Synonyms	Methyl 2-fluoro-5-methylbenzoate, 2967-93-3, 2-fluoro-5-methylBenzoic acid methyl ester, Benzoic acid, 2-fluoro-5-methyl-, methyl ester, SCHEMBL2060214, Methyl2-Fluoro-5-methylbenzoate, CTK0J1167, KS-00000BMU, DTXSID90627280, KPJYZNQMHXINEO-UHFFFAOYSA-N, ACT13153, ANW-65816, MFCD06203924, ZINC44199761, AKOS011800825, TRA0043103, AK-87530, AS-42406, CJ-20444, DA-16897, SY016925, AJ-109572, TC-154561, 2-fluoro-5-methyl-benzoic acid methyl ester, CS-0059150, FT-0703393, V4985, Z-4389, MFCD06203924 (97+%), C9H9FO2,

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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