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83573-62-0 | 2H-Benzimidazol-2-one,1,3-dihydro-5-methyl-6-nitro-(9CI)
CAS No: 83573-62-0 Catalog No: AG00G8UH MDL No:
Product Description
Catalog Number:
AG00G8UH
Chemical Name:
2H-Benzimidazol-2-one,1,3-dihydro-5-methyl-6-nitro-(9CI)
CAS Number:
83573-62-0
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
IUPAC Name:
5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C8H7N3O3/c1-4-2-5-6(10-8(12)9-5)3-7(4)11(13)14/h2-3H,1H3,(H2,9,10,12)
InChI Key:
IPZGIHJVJJXQIK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]c(=O)[nH]c2cc1C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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