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Home > Nitro Compounds > 88373-80-2
88373-80-2 | Phenol, 2-nitro-6-[[(phenylmethyl)imino]methyl]-
CAS No: 88373-80-2 Catalog No: AG004MAD MDL No:
Product Description
Catalog Number:
AG004MAD
Chemical Name:
Phenol, 2-nitro-6-[[(phenylmethyl)imino]methyl]-
CAS Number:
88373-80-2
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
2-(benzyliminomethyl)-6-nitrophenol
InChI:
InChI=1S/C14H12N2O3/c17-14-12(7-4-8-13(14)16(18)19)10-15-9-11-5-2-1-3-6-11/h1-8,10,17H,9H2
InChI Key:
BNVNNCYZVDDOJY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1O)C=NCc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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