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3034-38-6

3034-38-6 | 1H-Imidazole, 5-nitro-

CAS No: 3034-38-6 Catalog No: AG002ZTG MDL No:MFCD00005196

Product Description

Catalog Number:
AG002ZTG
Chemical Name:
1H-Imidazole, 5-nitro-
CAS Number:
3034-38-6
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00005196
IUPAC Name:
5-nitro-1H-imidazole
InChI:
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
InChI Key:
VYDWQPKRHOGLPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc[nH]1
EC Number:
221-224-7
UNII:
Y8U32AZ5O7
NSC Number:
50359

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

Literature

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