AG00ICQY

76574-39-5 | Benzeneacetonitrile, 2-bromo-6-chloro-

AG00ICQY

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CAS Number	76574-39-5
Catalog Number	AG00ICQY(AGN-PC-03GM1G)
Chemical Name	Benzeneacetonitrile, 2-bromo-6-chloro-
IUPAC Name	2-(2-bromo-6-chlorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrClN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChI Key	KEEAMGRPGIYUKK-UHFFFAOYSA-N
MDL Number	MFCD15526749
Molecular Formula	C8H5BrClN
Molecular Weight	230.4890
SMILES	N#CCC1=C(Cl)C=CC=C1Br
Synonyms	2-(2-bromo-6-chlorophenyl)acetonitrile, 76574-39-5, 2-Bromo-6-chlorphenylacetonitrile, SCHEMBL5764019, KEEAMGRPGIYUKK-UHFFFAOYSA-N, 2-bromo-6-chlorophenylacetonitrile, 2 -bromo-6-chlorophenylacetonitrile, 2-Bromo-6-chlorobenzeneacetonitrile, MFCD15526749, ZINC148768333, FCH1390965, AS-36908, SC-33875, AX8276956, J-508439,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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