2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester
Basic information
- CAS
78597-73-6- Standard SMILES
COC(=O)Cc1ccc2oc(=O)c(-c3ccc(Br)cc3)nc2c1- InChIKey
YTARYBDBZBKRGG-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO4
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 372.99497
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester
- IUPAC
- methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Names & synonyms
BRN 45397872H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-BROMOPHENYL)-2-OXO-, METHYL ESTER78597-73-6DTXSID202291953-(4-Bromophenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl esterRefChem:268017DTXCID40151686Methyl [3-(4-bromophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]acetate
Database identifiers
- CAS
78597-73-6- PubChem CID
- 54236
- DTXSID
DTXSID20229195
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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