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10173-72-5 | 1H-Benzimidazole, 6-methyl-2-(2-nitrophenyl)-
CAS No: 10173-72-5 Catalog No: AG0005CQ MDL No:
Product Description
Catalog Number:
AG0005CQ
Chemical Name:
1H-Benzimidazole, 6-methyl-2-(2-nitrophenyl)-
CAS Number:
10173-72-5
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
6-methyl-2-(2-nitrophenyl)-1H-benzimidazole
InChI:
InChI=1S/C14H11N3O2/c1-9-6-7-11-12(8-9)16-14(15-11)10-4-2-3-5-13(10)17(18)19/h2-8H,1H3,(H,15,16)
InChI Key:
YMVCCALFHZAHDO-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(n2)c1ccccc1[N+](=O)[O-]
NSC Number:
128759
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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