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Home > Nitro Compounds > 10066-14-5
10066-14-5 | 6-nitro-2-phenyl-1H-1,3-benzodiazol-1-ol
CAS No: 10066-14-5 Catalog No: AG00IMYA MDL No:MFCD00141407
Product Description
Catalog Number:
AG00IMYA
Chemical Name:
6-nitro-2-phenyl-1H-1,3-benzodiazol-1-ol
CAS Number:
10066-14-5
Molecular Formula:
C13H9N3O3
Molecular Weight:
255.2289
MDL Number:
MFCD00141407
IUPAC Name:
1-hydroxy-6-nitro-2-phenylbenzimidazole
InChI:
InChI=1S/C13H9N3O3/c17-15-12-8-10(16(18)19)6-7-11(12)14-13(15)9-4-2-1-3-5-9/h1-8,17H
InChI Key:
LGTQPMJREMHZJV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(O)c(n2)c1ccccc1
Properties
Complexity:
341
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:
1
Isotope Atom Count:
0
Molecular Weight:
255.233g/mol
Monoisotopic Mass:
255.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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