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88450-64-0 | Benzenamine, 3,5-dimethoxy-N-[(3-nitrophenyl)methylene]-
CAS No: 88450-64-0 Catalog No: AG004EIF MDL No:
Product Description
Catalog Number:
AG004EIF
Chemical Name:
Benzenamine, 3,5-dimethoxy-N-[(3-nitrophenyl)methylene]-
CAS Number:
88450-64-0
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
N-(3,5-dimethoxyphenyl)-1-(3-nitrophenyl)methanimine
InChI:
InChI=1S/C15H14N2O4/c1-20-14-7-12(8-15(9-14)21-2)16-10-11-4-3-5-13(6-11)17(18)19/h3-10H,1-2H3
InChI Key:
RJPYHRWOBWDCEL-UHFFFAOYSA-N
SMILES:
COc1cc(N=Cc2cccc(c2)[N+](=O)[O-])cc(c1)OC
Properties
Complexity:
357
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:
0
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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