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156300-65-1 | Benzenamine, 2-methoxy-N-[(4-nitrophenyl)methylene]-, [N(E)]-
CAS No: 156300-65-1 Catalog No: AG001ONT MDL No:
Product Description
Catalog Number:
AG001ONT
Chemical Name:
Benzenamine, 2-methoxy-N-[(4-nitrophenyl)methylene]-, [N(E)]-
CAS Number:
156300-65-1
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
N-(2-methoxyphenyl)-1-(4-nitrophenyl)methanimine
InChI:
InChI=1S/C14H12N2O3/c1-19-14-5-3-2-4-13(14)15-10-11-6-8-12(9-7-11)16(17)18/h2-10H,1H3
InChI Key:
VKFXDMFWDUDNCV-UHFFFAOYSA-N
SMILES:
COc1ccccc1/N=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
319
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:
0
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| The effect of molecular planarity on crystal non-centrosymmetry in benzylidene-aniline derivatives. | Acta crystallographica. Section C, Crystal structure communications 20020601 |
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