Basic information
- CAS
445408-99-1- Standard SMILES
COc1ccc(C(=O)Oc2ccc3ccccc3c2Br)cc1Br- InChIKey
AKAAKFTVXOVAIM-UHFFFAOYSA-N- Molecular formula
- C18H12Br2O3
- Average molar mass
- 436.1 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate
- IUPAC
- (1-bromonaphthalen-2-yl) 3-bromo-4-methoxybenzoate
- English name
- 1-bromo-2-naphthyl 3-bromo-4-methoxybenzoate
- Molecular formula
- C18H12Br2O3
- Molecular weight
- 436.09
Names & synonyms
1-bromo-2-naphthyl 3-bromo-4-methoxybenzoate(1-bromonaphthalen-2-yl) 3-bromo-4-methoxybenzoateOprea1_197284Oprea1_600091STK097328AKOS000491040ST0545811-bromonaphthalen-2-yl 3-bromo-4-methoxybenzoateAN-329/40887436Benzoic acid, 3-bromo-4-methoxy-, 1-bromo-2-naphthalenyl ester
Database identifiers
- CAS
445408-99-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 571.6 · 571.6±50.0 °C(Predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…