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88203-30-9 | Benzenamine, 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-
CAS No: 88203-30-9 Catalog No: AG004C7L MDL No:
Product Description
Catalog Number:
AG004C7L
Chemical Name:
Benzenamine, 4-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-
CAS Number:
88203-30-9
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
4-(1-methyl-5-nitrobenzimidazol-2-yl)aniline
InChI:
InChI=1S/C14H12N4O2/c1-17-13-7-6-11(18(19)20)8-12(13)16-14(17)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
InChI Key:
IJVMOPNUABWDRK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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