AG000KER

1233479-42-9 | Benzonitrile, 3-bromo-2-(bromomethyl)-

AG000KER

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CAS Number	1233479-42-9
Catalog Number	AG000KER(AGN-PC-0WD0UF)
Chemical Name	Benzonitrile, 3-bromo-2-(bromomethyl)-
IUPAC Name	3-bromo-2-(bromomethyl)benzonitrile
InChI	InChI=1S/C8H5Br2N/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2
InChI Key	JGGHLJKQQVOMMG-UHFFFAOYSA-N
MDL Number	MFCD18390220
Molecular Formula	C8H5Br2N
Molecular Weight	274.9400
SMILES	BrCC1=C(C=CC=C1Br)C#N
Synonyms	3-Bromo-2-(bromomethyl)benzonitrile, 1233479-42-9, 2-CYANO-6-BROMOBENZYLBROMIDE, 2-Bromo-6-cyanobenzyl bromide, SCHEMBL2780319, CTK8C1585, DTXSID20596778, JGGHLJKQQVOMMG-UHFFFAOYSA-N, 4464AA, ANW-66931, CL8699, MFCD18390220, ZINC85224457, AKOS016008235, FCH1369025, Benzonitrile, 3-bromo-2-(bromomethyl)-, AK-94361, AS-46079, AJ-127515, AX8237893, TC-155676, 3-Bromo-2-(bromomethyl)benzonitrile, AldrichCPR, C8H5Br2N,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.877g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.943g/mol
Monoisotopic Mass	272.879g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number