Home Nitriles 3-Bromo-1h-indazole-7-carbonitrile

3-Bromo-1h-indazole-7-carbonitrile

CAS No.:
945762-00-5
Catalog Number:
AG00IICS
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
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Product Description
Catalog Number:
AG00IICS
Chemical Name:
3-Bromo-1h-indazole-7-carbonitrile
CAS Number:
945762-00-5
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD11848409
IUPAC Name:
3-bromo-2H-indazole-7-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-8-6-3-1-2-5(4-10)7(6)11-12-8/h1-3H,(H,11,12)
InChI Key:
MRGZUAUMTMLMTE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1[nH]nc2Br
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile. Bioorganic & medicinal chemistry 20080601
Properties