Basic information
- CAS
78587-68-5- Standard SMILES
COC(=O)C(C)c1ccc2oc(=O)c(-c3ccc(Br)cc3)nc2c1- InChIKey
VOARSCQJFHKRAR-UHFFFAOYSA-N- Molecular formula
- C18H14BrNO4
- Average molar mass
- 388.2 g/mol
- Monoisotopic mass
- 387.01062
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-2-oxo-, methyl ester
- IUPAC
- methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Names & synonyms
BRN 45451713-(4-Bromophenyl)-alpha-methyl-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester78587-68-52H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-alpha-methyl-2-oxo-, methyl esterRefChem:268020DTXSID50999859methyl 2-[3-(4-bromophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]propanoate
Database identifiers
- CAS
78587-68-5- PubChem CID
- 54232
- DTXSID
DTXSID50999859
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…