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81246-34-6 | 5-Nitro-1H-imidazole-4-carbaldehyde
CAS No: 81246-34-6 Catalog No: AG005F38 MDL No:MFCD09743898
Product Description
Catalog Number:
AG005F38
Chemical Name:
5-Nitro-1H-imidazole-4-carbaldehyde
CAS Number:
81246-34-6
Molecular Formula:
C4H3N3O3
Molecular Weight:
141.0849
MDL Number:
MFCD09743898
IUPAC Name:
5-nitro-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C4H3N3O3/c8-1-3-4(7(9)10)6-2-5-3/h1-2H,(H,5,6)
InChI Key:
HVGCOWLYQUZAIM-UHFFFAOYSA-N
SMILES:
O=Cc1nc[nH]c1[N+](=O)[O-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.086g/mol
Monoisotopic Mass:
141.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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