AG00ELDA

606080-43-7 | methyl 2-cyano-5-fluorobenzoate

AG00ELDA

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CAS Number	606080-43-7
Catalog Number	AG00ELDA(AGN-PC-00J8Z6)
Chemical Name	methyl 2-cyano-5-fluorobenzoate
IUPAC Name	methyl 2-cyano-5-fluorobenzoate
InChI	InChI=1S/C9H6FNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3
InChI Key	CVFHFKWDNDKBOV-UHFFFAOYSA-N
MDL Number	MFCD11042789
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(OC)C1=CC(F)=CC=C1C#N
Synonyms	METHYL 2-CYANO-5-FLUOROBENZOATE, 606080-43-7, AK167256, Benzoic acid, 2-cyano-5-fluoro-, methyl ester, SCHEMBL1110936, KS-00000SVM, DTXSID10475189, CVFHFKWDNDKBOV-UHFFFAOYSA-N, FCH886946, MFCD11042789, ZINC95919779, AKOS006308614, DS-9453, AC-28630, 2-Cyano-5-fluoro-benzoic acid methyl ester, CS-0061812, 3-Cyano-5-methoxyindole, Methyl 2-cyano-5-fluoro-benzoate, CID11984295, 175278-29-2,

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	2.6

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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