2-Bromo-5-nitrobenzonitrile

CAT: 0024-sc-225225Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-225225Size:5 g

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CAS Number

134604-07-2

Chemical Information

2-Bromo-5-nitrobenzonitrile

CAS Number	134604-07-2
PubChem CID	7095423
IUPAC Name	2-bromo-5-nitrobenzonitrile
Molecular Formula	C7H3BrN2O2
Molecular Weight	227.01
XLogP	2.2
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	229

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br

InChI

InChI=1S/C7H3BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H

InChIKey

RKODNVITKISFKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134604-07-2

CID: 7095423

Formula: C7H3BrN2O2

MW: 227.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.01
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	225.93779
Monoisotopic Mass	225.93779
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-262486	5-Bromo-2-nitrobenzonitrile
sc-260809	3-Bromo-5-nitrobenzonitrile
sc-260809A	3-Bromo-5-nitrobenzonitrile
sc-223396	2-Amino-3-bromo-5-nitrobenzonitrile
sc-223396A	2-Amino-3-bromo-5-nitrobenzonitrile
sc-230527	2-Methyl-5-nitrobenzonitrile
sc-321021	2- (Cyclohexylamino) -5-nitrobenzonitrile
sc-306890	2-Anilino-5-nitrobenzonitrile
sc-321032	2- (Cyclopentylamino) -5-nitrobenzonitrile
sc-229912A	2-Amino-5-nitrobenzonitrile

Catalog	Name
435512-01	5-Bromo-2-nitrobenzonitrile
OR11410-01	2-Bromo-5-nitrobenzonitrile
ZBA67415	3-Bromo-5-nitrobenzonitrile
EFC37166-01	2-Bromo-4-fluoro-5-nitrobenzonitrile
260225-01	2-Amino-3-bromo-5-nitrobenzonitrile
PC101077-01	4-Bromo-2-fluoro-5-nitrobenzonitrile
435682-01	5-Bromo-4-chloro-2-nitrobenzonitrile
PC1007276-01	3-Bromo-2-fluoro-5-nitrobenzonitrile
OR72109-01	4-Bromo-2-chloro-5-nitrobenzonitrile
OR82754	4-Bromo-2-methoxy-5-nitrobenzonitrile