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1473-31-0 | 1,4-Naphthalenedione, 2-benzoyl-3-phenyl-
CAS No: 1473-31-0 Catalog No: AG001ESN MDL No:
Product Description
Catalog Number:
AG001ESN
Chemical Name:
1,4-Naphthalenedione, 2-benzoyl-3-phenyl-
CAS Number:
1473-31-0
Molecular Formula:
C23H14O3
Molecular Weight:
338.3555
IUPAC Name:
2-benzoyl-3-phenylnaphthalene-1,4-dione
InChI:
InChI=1S/C23H14O3/c24-21(16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)22(25)17-13-7-8-14-18(17)23(20)26/h1-14H
InChI Key:
CGQOKKARJMHAJG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C(=C1c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.362g/mol
Monoisotopic Mass:
338.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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