AG007HXA

1031927-03-3 | Methyl 2-bromo-5-cyanobenzoate

AG007HXA

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CAS Number	1031927-03-3
Catalog Number	AG007HXA(AGN-PC-0570JA)
Chemical Name	Methyl 2-bromo-5-cyanobenzoate
IUPAC Name	methyl 2-bromo-5-cyanobenzoate
InChI	InChI=1S/C9H6BrNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
InChI Key	SILKGSBMCDUFGF-UHFFFAOYSA-N
MDL Number	MFCD11035757
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	COC(=O)C1=C(Br)C=CC(=C1)C#N
Synonyms	Methyl 2-bromo-5-cyanobenzoate, 1031927-03-3, AK-27974, 2-bromo-5-cyano-benzoic acid methyl ester, W-204489, SCHEMBL14797327, CTK4A1815, KS-00000HHN, DTXSID10650131, SILKGSBMCDUFGF-UHFFFAOYSA-N, ZX-AT002134, ANW-57369, MFCD11035757, ZINC15022235, AKOS016001480, FCH1327349, OR12768, PS-3609, RP05830, VZ32531, 4-Bromo-3-(methoxycarbonyl)benzonitrile, AJ-67120, SC-49871, AB0039405, AX8158872, TC-146114, CS-0041625, FT-0645700, ST24030940, Y6864, Benzoicacid, 2-bromo-5-cyano-, methyl ester, J-521961, C9H6BrNO2, Methyl2-bromo-5-cyanobenzoate,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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