AG00IDYZ

86239-00-1 | Benzoic acid, 3-fluoro-4-methyl-, ethyl ester

AG00IDYZ

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CAS Number	86239-00-1
Catalog Number	AG00IDYZ(AGN-PC-00MRXH)
Chemical Name	Benzoic acid, 3-fluoro-4-methyl-, ethyl ester
IUPAC Name	ethyl 3-fluoro-4-methylbenzoate
InChI	InChI=1S/C10H11FO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI Key	XXAHBQYWMMITFM-UHFFFAOYSA-N
MDL Number	MFCD06204523
Molecular Formula	C10H11FO2
Molecular Weight	182.1915
SMILES	O=C(OCC)C1=CC=C(C)C(F)=C1
Synonyms	Ethyl 3-fluoro-4-methylbenzoate, 86239-00-1, SCHEMBL603415, XXAHBQYWMMITFM-UHFFFAOYSA-N, KS-00000S3W, MFCD06204523, ZINC21300463, AKOS009147067, DS-8382, AJ-78324, AK145970, 3-Fluoro-4-methylbenzoic acid ethyl ester, ST2406924, TL8005608, 4CH-017978, CS-0042794, Benzoic acid, 3-fluoro-4-methyl-, ethyl ester,

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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