Basic information
- CAS
78587-67-4- Standard SMILES
COC(=O)C(C)c1ccc2oc(=O)c(-c3ccc(Cl)cc3)nc2c1- InChIKey
XUTNGYIMWPBOHJ-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0611356
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-alpha-methyl-2-oxo-, methyl ester
- IUPAC
- methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate
Names & synonyms
BRN 454516978587-67-43-(4-Chlorophenyl)-alpha-methyl-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-alpha-methyl-2-oxo-, methyl esterRefChem:268026DTXSID90999858Methyl 2-[3-(4-chlorophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]propanoate
Database identifiers
- CAS
78587-67-4- PubChem CID
- 54231
- DTXSID
DTXSID90999858
Properties
Computed structural properties
- XLogP
- 3.9
- 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
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