AG00BJO2

22433-90-5 | 2-bromobenzene-1,3-dicarbonitrile

AG00BJO2

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CAS Number	22433-90-5
Catalog Number	AG00BJO2
Chemical Name	2-bromobenzene-1,3-dicarbonitrile
IUPAC Name	2-bromobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H3BrN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChI Key	PCTWWYKFRYQMOH-UHFFFAOYSA-N
MDL Number	MFCD21604249
Molecular Formula	C8H3BrN2
Molecular Weight	207.0268
SMILES	C(#N)c1c(Br)c(C#N)ccc1
Synonyms	2-Bromoisophthalonitrile, 22433-90-5, 2-bromobenzene-1,3-dicarbonitrile, bromoisophthalonitrile, SCHEMBL832, 1-bromo-2,6-dicyanobenzen, 1-bromo-2,6-dicyanobenzene, PCTWWYKFRYQMOH-UHFFFAOYSA-N, ZINC39207490, AKOS022182786, FCH1564123, NE31979, AJ-99059, FT-0699879, EN300-153074,

Complexity	207
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	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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