AG002X0B

289039-21-0 | Benzonitrile, 3-bromo-5-iodo-

AG002X0B

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CAS Number	289039-21-0
Catalog Number	AG002X0B(AGN-PC-07A7S4)
Chemical Name	Benzonitrile, 3-bromo-5-iodo-
IUPAC Name	3-bromo-5-iodobenzonitrile
InChI	InChI=1S/C7H3BrIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI Key	LHQMIDOWAGGZMD-UHFFFAOYSA-N
MDL Number	MFCD00672949
Molecular Formula	C7H3BrIN
Molecular Weight	307.9139
SMILES	N#CC1=CC(I)=CC(Br)=C1
Synonyms	3-Bromo-5-iodobenzonitrile, 289039-21-0, PubChem7754, Benzonitrile, 3-bromo-5-iodo-, SCHEMBL12522817, CTK7C7073, DTXSID50662778, ZINC2567827, ZX-AT016042, MFCD00672949, AKOS016010964, AS03705, FCH1331809, OR63033, 1-BROMO-3-CYANO-5-IODOBENZENE, ACM289039210, AJ-41486, AS-10182, BC003279, AX8245413, DB-068020, FT-0727431, ACN-042518,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number