AG000RRS

Name: Benzoic acid, 2-cyano-3-fluoro-, methyl ester
Brand: Angene Chemical
SKU: AG000RRS

1261476-54-3 | Benzoic acid, 2-cyano-3-fluoro-, methyl ester

AG000RRS

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CAS Number	1261476-54-3
Catalog Number	AG000RRS
Chemical Name	Benzoic acid, 2-cyano-3-fluoro-, methyl ester
IUPAC Name	methyl 2-cyano-3-fluorobenzoate
InChI	InChI=1S/C9H6FNO2/c1-13-9(12)6-3-2-4-8(10)7(6)5-11/h2-4H,1H3
InChI Key	HBXQJTWJTZKRNJ-UHFFFAOYSA-N
MDL Number	MFCD18399056
Molecular Formula	C9H6FNO2
Molecular Weight	179.1478
SMILES	O=C(C1=CC=CC(F)=C1C#N)OC
Synonyms	methyl 2-cyano-3-fluorobenzoate, 1261476-54-3, ZINC95884024, AKOS033575454, NE50339, Benzoic acid, 2-cyano-3-fluoro-, methyl ester, 2-CYANO-3-FLUOROBENZOIC ACID METHYL ESTER,

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	1.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited