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Home > Nitro Compounds > 7119-95-1
7119-95-1 | 1-NITROPYRAZOLE
CAS No: 7119-95-1 Catalog No: AG00F9WE MDL No:MFCD00015894
Product Description
Catalog Number:
AG00F9WE
Chemical Name:
1-NITROPYRAZOLE
CAS Number:
7119-95-1
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00015894
IUPAC Name:
1-nitropyrazole
InChI:
InChI=1S/C3H3N3O2/c7-6(8)5-3-1-2-4-5/h1-3H
InChI Key:
TYNVOQYGXDUHRX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)n1cccn1
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.023g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.076g/mol
Monoisotopic Mass:
113.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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