AG003Q43

496841-90-8 | ETHYL 2-FLUORO-5-METHYLBENZOATE

AG003Q43

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CAS Number	496841-90-8
Catalog Number	AG003Q43(AGN-PC-07QVID)
Chemical Name	ETHYL 2-FLUORO-5-METHYLBENZOATE
IUPAC Name	ethyl 2-fluoro-5-methylbenzoate
InChI	InChI=1S/C10H11FO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
InChI Key	ZRLAZXWLICGMKF-UHFFFAOYSA-N
MDL Number	MFCD06204763
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
SMILES	O=C(OCC)C1=CC(C)=CC=C1F
Synonyms	Ethyl 2-fluoro-5-methylbenzoate, 496841-90-8, Benzoic acid, 2-fluoro-5-methyl-, ethyl ester, Ethyl2-Fluoro-5-methylbenzoate, SCHEMBL5739621, CTK1D0646, DTXSID60673274, ZRLAZXWLICGMKF-UHFFFAOYSA-N, KS-00000BN2, 6695AJ, MFCD06204763, ZINC44200642, AKOS011801002, TRA0169703, AS-32085, CJ-20448, DA-16912, SY017650, AJ-109594, TC-308207, FT-0723415, Z-4420, MFCD06204763 (97+%), C10H11FO2, 50593-68-5,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.194g/mol
Monoisotopic Mass	182.074g/mol
Rotatable Bond Count	3
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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