Home Nitriles 1H-Indazole-7-carbonitrile, 3-amino-

1H-Indazole-7-carbonitrile, 3-amino-

CAS No.:
1137451-25-2
Catalog Number:
AG0009J7
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
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Product Description
Catalog Number:
AG0009J7
Chemical Name:
1H-Indazole-7-carbonitrile, 3-amino-
CAS Number:
1137451-25-2
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD00121127
IUPAC Name:
3-amino-1H-indazole-7-carbonitrile
InChI:
InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)11-12-8(6)10/h1-3H,(H3,10,11,12)
InChI Key:
YXHCJGVHKGTEFH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1[nH]nc2N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties