AG00CLSK

337362-21-7 | Methyl 5-cyano-2-fluorobenzoate

AG00CLSK

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CAS Number	337362-21-7
Catalog Number	AG00CLSK(AGN-PC-0ALRWP)
Chemical Name	Methyl 5-cyano-2-fluorobenzoate
IUPAC Name	methyl 5-cyano-2-fluorobenzoate
InChI	InChI=1S/C9H6FNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
InChI Key	ZIQLDZYJUIPASJ-UHFFFAOYSA-N
MDL Number	MFCD11042790
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(OC)C1=CC(C#N)=CC=C1F
Synonyms	methyl 5-cyano-2-fluorobenzoate, 337362-21-7, 5-Cyano-2-fluorobenzoic acid methyl ester, SCHEMBL283358, ZIQLDZYJUIPASJ-UHFFFAOYSA-N, MFCD11042790, ZINC75847296, AKOS006308615, CM12624, AS-46249, Benzoicacid,5-cyano-2-fluoro-,methylester, CS-0059163, Z0521, Q-7965, C9H6FNO2,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.15g/mol
Monoisotopic Mass	179.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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