Basic information
- Standard SMILES
COC(=O)c1cc(F)c(F)c2c1NC(C)CO2- InChIKey
VHFALIIFFRARFE-UHFFFAOYSA-N- Molecular formula
- C11H11F2NO3
- Average molar mass
- 243.21 g/mol
Names & identifiers
- Preferred name
- 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid methyl ester
- IUPAC
- methyl 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
Names & synonyms
SCHEMBL4512309VHFALIIFFRARFE-UHFFFAOYSA-N7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 21041192
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
4 records
Compound notes
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