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477856-93-2 | 4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenol
CAS No: 477856-93-2 Catalog No: AG00IPRB MDL No:MFCD02187283
Product Description
Catalog Number:
AG00IPRB
Chemical Name:
4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenol
CAS Number:
477856-93-2
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
MDL Number:
MFCD02187283
IUPAC Name:
4-(4-pyridin-2-ylpyrimidin-2-yl)phenol
InChI:
InChI=1S/C15H11N3O/c19-12-6-4-11(5-7-12)15-17-10-8-14(18-15)13-3-1-2-9-16-13/h1-10,19H
InChI Key:
YLNSYKWQBPIKTR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nccc(n1)c1ccccn1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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