AG0038VI

22433-89-2 | 4-Bromoisophthalonitrile

AG0038VI

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CAS Number	22433-89-2
Catalog Number	AG0038VI(AGN-PC-0JN4AR)
Chemical Name	4-Bromoisophthalonitrile
IUPAC Name	4-bromobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H
InChI Key	WQMGDEDMARMXQE-UHFFFAOYSA-N
MDL Number	MFCD00234370
Molecular Formula	C8H3BrN2
Molecular Weight	207.0268
SMILES	BrC1=C(C=C(C#N)C=C1)C#N
Synonyms	4-Bromoisophthalonitrile, 22433-89-2, 4-bromobenzene-1,3-dicarbonitrile, 4-Bromo-1,3-benzenedicarbonitrile, 1,3-Benzenedicarbonitrile, 4-bromo-, BRN 2575701, AK150902, AC1Q4RAL, AC1L4Q8X, Isophothalonitrile, 4-bromo-, SCHEMBL3836763, CHEMBL3248165, CTK4E9493, DTXSID00176976, WQMGDEDMARMXQE-UHFFFAOYSA-N, KS-00000S9M, ZINC3617607, 1,3-Benzenedicarbonitrile,4-bromo-, GEO-04143, MFCD00234370, SBB093787, Isophothalonitrile, 4-bromo- (8CI), AKOS022190184, CS-W023081, DS-9305, FCH1331085, AJ-45109, LS-29673, AX8287817, 4CH-003647, ST24043488, C8H3BrN2, C8-H3-Br-N2, AR-1G1287, CID211151, ACN-048635, 25486-40-2,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.03g/mol
Monoisotopic Mass	205.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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