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1217-25-0 | 2H-1,3-Benzoxazine-2,4(3H)-dione, 3-phenyl-
CAS No: 1217-25-0 Catalog No: AG0015LN MDL No:
Product Description
Catalog Number:
AG0015LN
Chemical Name:
2H-1,3-Benzoxazine-2,4(3H)-dione, 3-phenyl-
CAS Number:
1217-25-0
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
IUPAC Name:
3-phenyl-1,3-benzoxazine-2,4-dione
InChI:
InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)18-14(17)15(13)10-6-2-1-3-7-10/h1-9H
InChI Key:
AIPDYRUQGNTLLE-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(=O)n1c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Similarity approach to QSAR. Application to antimycobacterial benzoxazines. | International journal of pharmaceutics 20040109 |
| Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones. | Die Pharmazie 20030201 |
| Evaluation of rifapentine in long-term treatment regimens for tuberculosis in mice. | Antimicrobial agents and chemotherapy 19991001 |
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