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208510-03-6 | 1H-Imidazole-4-carbonitrile, 5-nitro-
CAS No: 208510-03-6 Catalog No: AG002JQA MDL No:MFCD19218753
Product Description
Catalog Number:
AG002JQA
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-nitro-
CAS Number:
208510-03-6
Molecular Formula:
C4H2N4O2
Molecular Weight:
138.0843
MDL Number:
MFCD19218753
IUPAC Name:
5-nitro-1H-imidazole-4-carbonitrile
InChI:
InChI=1S/C4H2N4O2/c5-1-3-4(8(9)10)7-2-6-3/h2H,(H,6,7)
InChI Key:
UNHKJVQFVZYKRW-UHFFFAOYSA-N
SMILES:
N#Cc1nc[nH]c1[N+](=O)[O-]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.018g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.086g/mol
Monoisotopic Mass:
138.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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