AG001456

1379326-67-6 | Benzonitrile, 2,5-dibromo-4-fluoro-

AG001456

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CAS Number	1379326-67-6
Catalog Number	AG001456(AGN-PC-0WAMC6)
Chemical Name	Benzonitrile, 2,5-dibromo-4-fluoro-
IUPAC Name	2,5-dibromo-4-fluorobenzonitrile
InChI	InChI=1S/C7H2Br2FN/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChI Key	KSJPHKSCOBGZQL-UHFFFAOYSA-N
MDL Number	MFCD18906828
Molecular Formula	C7H2Br2FN
Molecular Weight	278.9039
SMILES	C(#N)c1c(Br)cc(c(c1)Br)F
Synonyms	2,5-Dibromo-4-fluorobenzonitrile, 1379326-67-6, AK174075, SCHEMBL15409386, KSJPHKSCOBGZQL-UHFFFAOYSA-N, MFCD18906828, ZINC98213425, AKOS025395564, Benzonitrile, 2,5-dibromo-4-fluoro-, DS-8582, FCH1347620, AX8329865,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.852g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.906g/mol
Monoisotopic Mass	276.854g/mol
Rotatable Bond Count	0
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	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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