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Home > Nitro Compounds > 90348-29-1
90348-29-1 | 5-NITRO-1H-INDAZOLE-3-CARBONITRILE
CAS No: 90348-29-1 Catalog No: AG00H33H MDL No:MFCD09701265
Product Description
Catalog Number:
AG00H33H
Chemical Name:
5-NITRO-1H-INDAZOLE-3-CARBONITRILE
CAS Number:
90348-29-1
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
MDL Number:
MFCD09701265
IUPAC Name:
5-nitro-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H4N4O2/c9-4-8-6-3-5(12(13)14)1-2-7(6)10-11-8/h1-3H,(H,10,11)
InChI Key:
WXTZAAHDBOKXDI-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.146g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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