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Home > Nitro Compounds > 116855-00-6
116855-00-6 | 1H-Pyrazolo[3,4-b]pyridine, 3-nitro-
CAS No: 116855-00-6 Catalog No: AG000DBI MDL No:MFCD11867861
Product Description
Catalog Number:
AG000DBI
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-nitro-
CAS Number:
116855-00-6
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD11867861
IUPAC Name:
3-nitro-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H4N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H,(H,7,8,9)
InChI Key:
BAUHQAOOAIVBTO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]c2c1cccn2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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