Basic information
- CAS
6618-67-3- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c(CBr)c1CBr- InChIKey
GNAWRMSVTTZFPO-UHFFFAOYSA-N- Molecular formula
- C12H12Br2O4
- Average molar mass
- 380.03 g/mol
- Monoisotopic mass
- 377.91023
Names & identifiers
- Preferred name
- [4-Acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
- IUPAC
- [4-acetyloxy-2,3-bis(bromomethyl)phenyl] acetate
Names & synonyms
6618-67-3[4-acetyloxy-2,3-bis(bromomethyl)phenyl] acetateNSC357164DTXSID10320286NSC-3571642,3-Bis(bromomethyl)-1,4-phenylene diacetate
Database identifiers
- CAS
6618-67-3- PubChem CID
- 337808
- DTXSID
DTXSID10320286
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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