Basic information
- CAS
1774-09-0- Standard SMILES
COc1cc(C(=O)C(C)Br)ccc1OC(=O)c1ccccc1- InChIKey
RNWCQJRROAWTEQ-UHFFFAOYSA-N- Molecular formula
- C17H15BrO4
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.01537
Names & identifiers
- Preferred name
- 4-(2-Bromopropanoyl)-2-methoxyphenyl benzoate
- IUPAC
- [4-(2-bromopropanoyl)-2-methoxyphenyl] benzoate
Names & synonyms
1774-09-04-(2-bromopropanoyl)-2-methoxyphenyl benzoateNSC47104DTXSID60286727NSC-47104
Database identifiers
- CAS
1774-09-0- PubChem CID
- 240673
- DTXSID
DTXSID60286727
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…