AG00DQNT

52864-54-7 | 2-BROMO-4-CHLOROPHENYLACETONITRILE

AG00DQNT

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CAS Number	52864-54-7
Catalog Number	AG00DQNT(AGN-PC-03GAUW)
Chemical Name	2-BROMO-4-CHLOROPHENYLACETONITRILE
IUPAC Name	2-(2-bromo-4-chlorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrClN/c9-8-5-7(10)2-1-6(8)3-4-11/h1-2,5H,3H2
InChI Key	NSUWXNIKPGCUPX-UHFFFAOYSA-N
MDL Number	MFCD11044834
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	N#CCC1=CC=C(Cl)C=C1Br
Synonyms	2-(2-Bromo-4-chlorophenyl)acetonitrile, 52864-54-7, 2-Bromo-4-chlorobenzyl cyanide, AK150725, SCHEMBL1569635, CTK8J0311, NSUWXNIKPGCUPX-UHFFFAOYSA-N, 2-Bromo-4-chlorobenzeneacetonitrile, 2-Bromo-4-chlorophenyl acetonitrile, MFCD11044834, ZINC88190262, (2-bromo-4-chlorophenyl)-acetonitrile, AKOS022190066, DS-9282, FCH1401893, ACM52864547, KS-00000S95, 2-BROMO-4-CHLOROPHENYLACETONITRILE, OR400067, AJ-128192, AX8287740, CS-0041833, FT-0741475, EN300-261605, Z2418194276,

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	2.9

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