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203321-02-2 | 2H-1,3-Benzoxazine-2,4(3H)-dione, 6,8-dibromo-3-(3-chlorophenyl)-
CAS No: 203321-02-2 Catalog No: AG0028TT MDL No:
Product Description
Catalog Number:
AG0028TT
Chemical Name:
2H-1,3-Benzoxazine-2,4(3H)-dione, 6,8-dibromo-3-(3-chlorophenyl)-
CAS Number:
203321-02-2
Molecular Formula:
C14H6Br2ClNO3
Molecular Weight:
431.4633
IUPAC Name:
6,8-dibromo-3-(3-chlorophenyl)-1,3-benzoxazine-2,4-dione
InChI:
InChI=1S/C14H6Br2ClNO3/c15-7-4-10-12(11(16)5-7)21-14(20)18(13(10)19)9-3-1-2-8(17)6-9/h1-6H
InChI Key:
UDCGNGFBWNQMQX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1c(=O)oc2c(c1=O)cc(cc2Br)Br
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.838g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.464g/mol
Monoisotopic Mass:
428.84g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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