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833482-39-6 | Benzenamine, 2-(iminophenylmethyl)-5-nitro-
CAS No: 833482-39-6 Catalog No: AG0055LY MDL No:
Product Description
Catalog Number:
AG0055LY
Chemical Name:
Benzenamine, 2-(iminophenylmethyl)-5-nitro-
CAS Number:
833482-39-6
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
2-(benzenecarboximidoyl)-5-nitroaniline
InChI:
InChI=1S/C13H11N3O2/c14-12-8-10(16(17)18)6-7-11(12)13(15)9-4-2-1-3-5-9/h1-8,15H,14H2
InChI Key:
UEMPNQZYEMUEDP-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1C(=N)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
321
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:
2
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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