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203320-97-2 | 2H-1,3-Benzoxazine-2,4(3H)-dione, 6,8-dibromo-3-phenyl-
CAS No: 203320-97-2 Catalog No: AG0028TU MDL No:
Product Description
Catalog Number:
AG0028TU
Chemical Name:
2H-1,3-Benzoxazine-2,4(3H)-dione, 6,8-dibromo-3-phenyl-
CAS Number:
203320-97-2
Molecular Formula:
C14H7Br2NO3
Molecular Weight:
397.0183
IUPAC Name:
6,8-dibromo-3-phenyl-1,3-benzoxazine-2,4-dione
InChI:
InChI=1S/C14H7Br2NO3/c15-8-6-10-12(11(16)7-8)20-14(19)17(13(10)18)9-4-2-1-3-5-9/h1-7H
InChI Key:
YLDQIGCWKFGTJL-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(=O)o2)c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.877g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.022g/mol
Monoisotopic Mass:
394.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Similarity approach to QSAR. Application to antimycobacterial benzoxazines. | International journal of pharmaceutics 20040109 |
| Relationships between the chemical structure of antimycobacterial substances and their activity against atypical strains. Part 14: 3-Aryl-6,8-dihalogeno-2H-1,3-benzoxazine-2,4(3H)-diones. | Archiv der Pharmazie 19980101 |
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