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Home > Nitro Compounds > 870003-42-2
870003-42-2 | Phenol, 2-ethoxy-6-[(E)-[(4-nitrophenyl)imino]methyl]-
CAS No: 870003-42-2 Catalog No: AG004KB0 MDL No:
Product Description
Catalog Number:
AG004KB0
Chemical Name:
Phenol, 2-ethoxy-6-[(E)-[(4-nitrophenyl)imino]methyl]-
CAS Number:
870003-42-2
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-ethoxy-6-[(4-nitrophenyl)iminomethyl]phenol
InChI:
InChI=1S/C15H14N2O4/c1-2-21-14-5-3-4-11(15(14)18)10-16-12-6-8-13(9-7-12)17(19)20/h3-10,18H,2H2,1H3
InChI Key:
PPUBSXFWHCMVPM-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1O)/C=N/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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