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89153-97-9 | Methanone, (4-chlorophenyl)[2-[(3-nitro-2-pyridinyl)amino]phenyl]-
CAS No: 89153-97-9 Catalog No: AG003WS2 MDL No:
Product Description
Catalog Number:
AG003WS2
Chemical Name:
Methanone, (4-chlorophenyl)[2-[(3-nitro-2-pyridinyl)amino]phenyl]-
CAS Number:
89153-97-9
Molecular Formula:
C18H12ClN3O3
Molecular Weight:
353.7592
IUPAC Name:
(4-chlorophenyl)-[2-[(3-nitropyridin-2-yl)amino]phenyl]methanone
InChI:
InChI=1S/C18H12ClN3O3/c19-13-9-7-12(8-10-13)17(23)14-4-1-2-5-15(14)21-18-16(22(24)25)6-3-11-20-18/h1-11H,(H,20,21)
InChI Key:
UKIDXYWLNJZRSE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccccc1Nc1ncccc1[N+](=O)[O-]
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.057g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.762g/mol
Monoisotopic Mass:
353.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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