2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
Basic information
- CAS
6976-53-0- Standard SMILES
CC(Br)C(OC(=O)c1cccc2ccccc12)c1cc2c(cc1Br)OCO2- InChIKey
GEJXKMLDJJULNO-UHFFFAOYSA-N- Molecular formula
- C21H16Br2O4
- Average molar mass
- 492.2 g/mol
- Monoisotopic mass
- 489.94153
Names & identifiers
- Preferred name
- 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
- IUPAC
- [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] naphthalene-1-carboxylate
Names & synonyms
6976-53-02-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylateNSC24724DTXSID20282144NSC-247242-Bromo-1-(6-bromo-2H-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
Database identifiers
- CAS
6976-53-0- PubChem CID
- 230145
- DTXSID
DTXSID20282144
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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