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28801-00-5 | 1,4-Benzenediamine, N1-[(3-nitrophenyl)methylene]-
CAS No: 28801-00-5 Catalog No: AG002WKT MDL No:
Product Description
Catalog Number:
AG002WKT
Chemical Name:
1,4-Benzenediamine, N1-[(3-nitrophenyl)methylene]-
CAS Number:
28801-00-5
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
4-[(3-nitrophenyl)methylideneamino]aniline
InChI:
InChI=1S/C13H11N3O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H,14H2
InChI Key:
FNKWYSRJIINZKW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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