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1240518-54-0 | 1H-Indazole-4-carbonitrile, 3-amino-
CAS No: 1240518-54-0 Catalog No: AG000LGQ MDL No:MFCD20486223
Product Description
Catalog Number:
AG000LGQ
Chemical Name:
1H-Indazole-4-carbonitrile, 3-amino-
CAS Number:
1240518-54-0
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD20486223
IUPAC Name:
3-amino-1H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
InChI Key:
KVXRKRURRSOVSJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(N)n[nH]2
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
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