3-(4-Bromophenyl)-6-chloro-1,3-benzoxazine-2,4-dione
Basic information
- CAS
18655-97-5- Standard SMILES
O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(Br)cc1- InChIKey
WNRIVXRGBGKLET-UHFFFAOYSA-N- Molecular formula
- C14H7BrClNO3
- Average molar mass
- 352.56 g/mol
- Monoisotopic mass
- 350.92978
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-6-chloro-1,3-benzoxazine-2,4-dione
- IUPAC
- 3-(4-bromophenyl)-6-chloro-1,3-benzoxazine-2,4-dione
Names & synonyms
3-(4-bromophenyl)-6-chloro-1,3-benzoxazine-2,4-dione18655-97-5DTXSID103331343-(4-Bromo-phenyl)-6-chloro-benzo[e][1,3]oxazine-2,4-dione3-(4-Bromophenyl)-6-chloro-2H-1,3-benzoxazine-2,4(3H)-dione
Database identifiers
- CAS
18655-97-5- PubChem CID
- 485495
- DTXSID
DTXSID10333134- Nikkaji
- J1.247.496B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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