AG00FLD2

67197-54-0 | (4-BROMO-2-CHLOROPHENYL)ACETONOTRILE

AG00FLD2

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CAS Number	67197-54-0
Catalog Number	AG00FLD2(AGN-PC-0CKD0T)
Chemical Name	(4-BROMO-2-CHLOROPHENYL)ACETONOTRILE
IUPAC Name	2-(4-bromo-2-chlorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrClN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChI Key	MXZBZBHXAMJWMY-UHFFFAOYSA-N
MDL Number	MFCD18390589
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	N#CCC1=CC=C(Br)C=C1Cl
Synonyms	2-(4-Bromo-2-chlorophenyl)acetonitrile, 67197-54-0, (4-bromo-2-chlorophenyl)acetonitrile, SCHEMBL306921, 4-bromo-2-chlorobenzyl cyanide, MXZBZBHXAMJWMY-UHFFFAOYSA-N, 2-Chloro-4-bromobenzeneacetonitrile, ALBB-030436, MFCD18390589, ZINC83593248, (4-bromo-2-chlorophenyl)-acetonitrile, AKOS022190068, FCH1369307, (4-bromo-2-chloro-phenyl)-acetonitrile, BBV-40245414, AJ-126023, AX8287742, (4-BROMO-2-CHLOROPHENYL)ACETONOTRILE, J3.561.007C, 2-chloro-4-bromophenylacetonitrile,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number