AG002AUT

197516-57-7 | Methyl 2-Fluoro-6-methylbenzoate

AG002AUT

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CAS Number	197516-57-7
Catalog Number	AG002AUT(AGN-PC-04Z0ZC)
Chemical Name	Methyl 2-Fluoro-6-methylbenzoate
IUPAC Name	methyl 2-fluoro-6-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	CTCSAWGFOPOVEU-UHFFFAOYSA-N
MDL Number	MFCD11226310
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(OC)C1=C(C)C=CC=C1F
Synonyms	METHYL 2-FLUORO-6-METHYLBENZOATE, 197516-57-7, Benzoic acid, 2-fluoro-6-methyl-, methyl ester, SCHEMBL8056782, Methyl2-fluoro-6-methylbenzoate, KS-00000BMT, DTXSID20648645, CL9024, MFCD11226310, ZINC21304692, AKOS006309624, CM12762, TRA0003324, AJ-78554, AK-84072, AS-19930, CJ-16956, SC-57550, SY016953, AB0043860, DB-021512, TC-308442, FT-0724201, Z1820, TL800742017, Z-4392, MFCD11226310 (97+%), BENZOIC ACID,2-FLUORO-6-METHYL-,METHYL ESTER, C9H9FO2, METHYL 2-CYANO-6-FLUOROBENZOATE, 2942-59-8, 58332-01-7,

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

Lot Number