AG0000RK

1000577-94-5 | Benzonitrile, 3-bromo-4-iodo-

AG0000RK

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CAS Number	1000577-94-5
Catalog Number	AG0000RK(AGN-PC-0NMP86)
Chemical Name	Benzonitrile, 3-bromo-4-iodo-
IUPAC Name	3-bromo-4-iodobenzonitrile
InChI	InChI=1S/C7H3BrIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChI Key	COMRZEYMBSUAGN-UHFFFAOYSA-N
MDL Number	MFCD09800817
Molecular Formula	C7H3BrIN
Molecular Weight	307.9139
SMILES	N#CC1=CC=C(I)C(Br)=C1
Synonyms	3-Bromo-4-iodobenzonitrile, 1000577-94-5, AK343595, SCHEMBL171636, Benzonitrile, 3-bromo-4-iodo-, DTXSID00650226, 9206AF, MFCD09800817, ZINC15443845, AKOS027340218, FCH1393441, AS-10653, BBV-40269548, CJ-15148, OR400773, FT-0723414, K-0141, J-000024, C7H3BrIN,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.849g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.916g/mol
Monoisotopic Mass	306.849g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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