AG00689B

714237-95-3 | Methyl 5-bromo-2-cyanobenzoate

AG00689B

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CAS Number	714237-95-3
Catalog Number	AG00689B(AGN-PC-09RZRB)
Chemical Name	Methyl 5-bromo-2-cyanobenzoate
IUPAC Name	methyl 5-bromo-2-cyanobenzoate
InChI	InChI=1S/C9H6BrNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3
InChI Key	JYCDKDCBYOOZLW-UHFFFAOYSA-N
MDL Number	MFCD15523586
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	COC(=O)C1=C(C=CC(Br)=C1)C#N
Synonyms	METHYL 5-BROMO-2-CYANOBENZOATE, 714237-95-3, CTK8C2466, methyl 5-bromo-2-cyano-benzoate, DTXSID20697517, 1089AC, ANW-68432, MFCD15523586, ZINC85223500, AKOS016006923, FCH1390827, AK-79621, AN-16392, BBV-40266934, DS-17716, SC-13025, 5-Bromo-2-cyano-benzoic acid methyl ester, AB0049325, AJ-127215, AX8237147, DB-074429, TC-157177, FT-0748017, Benzoic acid, 5-bromo-2-cyano-, methyl ester, BENZOIC ACID,5-BROMO-2-CYANO-,METHYL ESTER, C9H6BrNO2,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.056g/mol
Monoisotopic Mass	238.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number