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Home > Imidazoles > 85330-50-3
85330-50-3 | 4-Nitro-1H-benzo[d]imidazol-2(3H)-one
CAS No: 85330-50-3 Catalog No: AG004LAJ MDL No:MFCD09835484
Product Description
Catalog Number:
AG004LAJ
Chemical Name:
4-Nitro-1H-benzo[d]imidazol-2(3H)-one
CAS Number:
85330-50-3
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD09835484
IUPAC Name:
4-nitro-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C7H5N3O3/c11-7-8-4-2-1-3-5(10(12)13)6(4)9-7/h1-3H,(H2,8,9,11)
InChI Key:
NEXYNHXFBYYIHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1[nH]c(=O)[nH]2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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