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89153-91-3 | Methanone, [2-[(3-nitro-2-pyridinyl)amino]phenyl]phenyl-
CAS No: 89153-91-3 Catalog No: AG003XAB MDL No:
Product Description
Catalog Number:
AG003XAB
Chemical Name:
Methanone, [2-[(3-nitro-2-pyridinyl)amino]phenyl]phenyl-
CAS Number:
89153-91-3
Molecular Formula:
C18H13N3O3
Molecular Weight:
319.3141
IUPAC Name:
[2-[(3-nitropyridin-2-yl)amino]phenyl]-phenylmethanone
InChI:
InChI=1S/C18H13N3O3/c22-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18-16(21(23)24)11-6-12-19-18/h1-12H,(H,19,20)
InChI Key:
MRMOTKGMMJMALA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Nc1ncccc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.32g/mol
Monoisotopic Mass:
319.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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