AG00BFCG

21924-83-4 | 4-(BROMOMETHYL)-3-CHLOROBENZONITRILE

AG00BFCG

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CAS Number	21924-83-4
Catalog Number	AG00BFCG(AGN-PC-00KLCT)
Chemical Name	4-(BROMOMETHYL)-3-CHLOROBENZONITRILE
IUPAC Name	4-(bromomethyl)-3-chlorobenzonitrile
InChI	InChI=1S/C8H5BrClN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChI Key	OWKYKQSLKAJOBT-UHFFFAOYSA-N
MDL Number	MFCD01208294
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	N#CC1=CC=C(C(Cl)=C1)CBr
Synonyms	4-(BROMOMETHYL)-3-CHLOROBENZONITRILE, 21924-83-4, 4-Bromomethyl-3-chlorobenzonitrile, 2-CHLORO-4-CYANOBENZYL BROMIDE, SCHEMBL533946, 2-choro-4-cyanobenzyl bromide, CTK8H6284, OWKYKQSLKAJOBT-UHFFFAOYSA-N, MFCD18583409, ZINC39377765, AB08370, FCH1332493, NE46977, AS-53538, BBV-40208600, Benzonitrile, 4-(bromomethyl)-3-chloro-, EN300-160097, 4- -3-chlorobenzonitrile,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.929g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.489g/mol
Monoisotopic Mass	228.929g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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