Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)C(C)(C)c1cccc(Br)c1- InChIKey
VVHMSXTUYBMSIK-UHFFFAOYSA-N- Molecular formula
- C17H21BrO5
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.05724
Names & identifiers
- Preferred name
- Diethyl 2-(2-(3-bromophenyl)-2-methylpropanoyl)malonate
- IUPAC
- diethyl 2-[2-(3-bromophenyl)-2-methylpropanoyl]propanedioate
Names & synonyms
1035262-01-1diethyl 2-(2-(3-bromophenyl)-2-methylpropanoyl)malonateSCHEMBL1625659VVHMSXTUYBMSIK-UHFFFAOYSA-NDA-34899
Database identifiers
- PubChem CID
- 67099417
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
3 records
Compound notes
Loading…