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10173-74-7 | 1H-Benzimidazole, 5,6-dimethyl-2-(2-nitrophenyl)-
CAS No: 10173-74-7 Catalog No: AG0005CO MDL No:
Product Description
Catalog Number:
AG0005CO
Chemical Name:
1H-Benzimidazole, 5,6-dimethyl-2-(2-nitrophenyl)-
CAS Number:
10173-74-7
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
IUPAC Name:
5,6-dimethyl-2-(2-nitrophenyl)-1H-benzimidazole
InChI:
InChI=1S/C15H13N3O2/c1-9-7-12-13(8-10(9)2)17-15(16-12)11-5-3-4-6-14(11)18(19)20/h3-8H,1-2H3,(H,16,17)
InChI Key:
JMZDHQKQYPBOSV-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]c(nc2cc1C)c1ccccc1[N+](=O)[O-]
NSC Number:
128742
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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