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1504-48-9 | 2(1H)-Quinoxalinone, 3-phenyl-, 4-oxide
CAS No: 1504-48-9 Catalog No: AG001MKX MDL No:
Product Description
Catalog Number:
AG001MKX
Chemical Name:
2(1H)-Quinoxalinone, 3-phenyl-, 4-oxide
CAS Number:
1504-48-9
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
4-oxido-3-phenyl-1H-quinoxalin-4-ium-2-one
InChI:
InChI=1S/C14H10N2O2/c17-14-13(10-6-2-1-3-7-10)16(18)12-9-5-4-8-11(12)15-14/h1-9H,(H,15,17)
InChI Key:
JUJNJFGOMPIJOT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2[n+](c1c1ccccc1)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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