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Home > Imidazoles > 113551-23-8
113551-23-8 | Phenol, 4-(6-nitro-1H-benzimidazol-2-yl)-
CAS No: 113551-23-8 Catalog No: AG0008ZJ MDL No:
Product Description
Catalog Number:
AG0008ZJ
Chemical Name:
Phenol, 4-(6-nitro-1H-benzimidazol-2-yl)-
CAS Number:
113551-23-8
Molecular Formula:
C13H9N3O3
Molecular Weight:
255.2289
IUPAC Name:
4-(6-nitro-1H-benzimidazol-2-yl)phenol
InChI:
InChI=1S/C13H9N3O3/c17-10-4-1-8(2-5-10)13-14-11-6-3-9(16(18)19)7-12(11)15-13/h1-7,17H,(H,14,15)
InChI Key:
QPAUGSYVFGVSOV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
339
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:
3.1
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