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Home > Nitro Compounds > 15666-54-3
15666-54-3 | Phenol, 5-nitro-2-[(phenylimino)methyl]-
CAS No: 15666-54-3 Catalog No: AG001OWA MDL No:
Product Description
Catalog Number:
AG001OWA
Chemical Name:
Phenol, 5-nitro-2-[(phenylimino)methyl]-
CAS Number:
15666-54-3
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
5-nitro-2-(phenyliminomethyl)phenol
InChI:
InChI=1S/C13H10N2O3/c16-13-8-12(15(17)18)7-6-10(13)9-14-11-4-2-1-3-5-11/h1-9,16H
InChI Key:
BORYRCJYPLUXEX-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1C=Nc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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