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Home > Imidazoles > 79230-16-3
79230-16-3 | Phenol, 2-(5-nitro-1H-benzimidazol-2-yl)-
CAS No: 79230-16-3 Catalog No: AG0052XP MDL No:
Product Description
Catalog Number:
AG0052XP
Chemical Name:
Phenol, 2-(5-nitro-1H-benzimidazol-2-yl)-
CAS Number:
79230-16-3
Molecular Formula:
C13H9N3O3
Molecular Weight:
255.2289
IUPAC Name:
2-(6-nitro-1H-benzimidazol-2-yl)phenol
InChI:
InChI=1S/C13H9N3O3/c17-12-4-2-1-3-9(12)13-14-10-6-5-8(16(18)19)7-11(10)15-13/h1-7,17H,(H,14,15)
InChI Key:
NLOABUHTENDFSD-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.233g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Relaxant activity of 2-(substituted phenyl)-1H-benzimidazoles on isolated rat aortic rings: design and synthesis of 5-nitro derivatives. | Life sciences 20060627 |
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