AG000R3U

1260751-65-2 | Benzoic acid, 2-cyano-5-fluoro-, ethyl ester

AG000R3U

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CAS Number	1260751-65-2
Catalog Number	AG000R3U(AGN-PC-0ALRU1)
Chemical Name	Benzoic acid, 2-cyano-5-fluoro-, ethyl ester
IUPAC Name	ethyl 2-cyano-5-fluorobenzoate
InChI	InChI=1S/C10H8FNO2/c1-2-14-10(13)9-5-8(11)4-3-7(9)6-12/h3-5H,2H2,1H3
InChI Key	QMZSRWKQXUGYBE-UHFFFAOYSA-N
MDL Number	MFCD11041402
Molecular Formula	C10H8FNO2
Molecular Weight	193.1744
SMILES	O=C(OCC)C1=CC(F)=CC=C1C#N
Synonyms	ethyl 2-cyano-5-fluorobenzoate, 1260751-65-2, Ethyl2-cyano-5-fluorobenzoate, SCHEMBL1654418, CHEMBL3669302, BDBM98666, QMZSRWKQXUGYBE-UHFFFAOYSA-N, MFCD11041402, ZINC96168499, AKOS006308336, CM12618, Benzoic acid, 2-cyano-5-fluoro-, ethyl ester, US8497270, 25,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.177g/mol
Monoisotopic Mass	193.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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