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Home > Imidazoles > 527-73-1
527-73-1 | 2-Nitro-1H-imidazole
CAS No: 527-73-1 Catalog No: AG003HSP MDL No:MFCD00005185
Product Description
Catalog Number:
AG003HSP
Chemical Name:
2-Nitro-1H-imidazole
CAS Number:
527-73-1
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00005185
IUPAC Name:
2-nitro-1H-imidazole
InChI:
InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChI Key:
YZEUHQHUFTYLPH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncc[nH]1
EC Number:
208-425-5
UNII:
K8E96XL55D
NSC Number:
105831
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:
1
Isotope Atom Count:
0
Molecular Weight:
113.076g/mol
Monoisotopic Mass:
113.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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