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83166-01-2 | Methanone, [2-[(3-amino-2-pyridinyl)amino]phenyl]phenyl-
CAS No: 83166-01-2 Catalog No: AG0050E5 MDL No:
Product Description
Catalog Number:
AG0050E5
Chemical Name:
Methanone, [2-[(3-amino-2-pyridinyl)amino]phenyl]phenyl-
CAS Number:
83166-01-2
Molecular Formula:
C18H15N3O
Molecular Weight:
289.3312
IUPAC Name:
[2-[(3-aminopyridin-2-yl)amino]phenyl]-phenylmethanone
InChI:
InChI=1S/C18H15N3O/c19-15-10-6-12-20-18(15)21-16-11-5-4-9-14(16)17(22)13-7-2-1-3-8-13/h1-12H,19H2,(H,20,21)
InChI Key:
JKOYHSGPAKBGAG-UHFFFAOYSA-N
SMILES:
Nc1cccnc1Nc1ccccc1C(=O)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.338g/mol
Monoisotopic Mass:
289.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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