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13922-55-9 | 4(3H)-Pyrimidinone, 2-phenyl-5-(phenylmethoxy)-
CAS No: 13922-55-9 Catalog No: AG001AI6 MDL No:
Product Description
Catalog Number:
AG001AI6
Chemical Name:
4(3H)-Pyrimidinone, 2-phenyl-5-(phenylmethoxy)-
CAS Number:
13922-55-9
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
2-phenyl-5-phenylmethoxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C17H14N2O2/c20-17-15(21-12-13-7-3-1-4-8-13)11-18-16(19-17)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,19,20)
InChI Key:
WXFACPZNERNEQK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(ncc1OCc1ccccc1)c1ccccc1
NSC Number:
101682
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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