Basic information
- CAS
496033-90-0- Standard SMILES
COc1ccc(C(=O)Oc2ccccc2Cl)cc1Br- InChIKey
KYVSAHJYRVJPBY-UHFFFAOYSA-N- Molecular formula
- C14H10BrClO3
- Average molar mass
- 341.58 g/mol
- Monoisotopic mass
- 339.95018
Names & identifiers
- Preferred name
- 2-Chlorophenyl 3-bromo-4-methoxybenzoate
- IUPAC
- (2-chlorophenyl) 3-bromo-4-methoxybenzoate
- English name
- 2-chlorophenyl 3-bromo-4-methoxybenzoate
- Molecular formula
- C14H10BrClO3
- Molecular weight
- 341.58
Names & synonyms
2-chlorophenyl 3-bromo-4-methoxybenzoate(2-chlorophenyl) 3-bromo-4-methoxybenzoateSTK042730AKOS000493161SDCCGSBI-0089898.P001NCGC00325734-01ST054859AB00310106-03AN-329/41306941Benzoic acid, 3-bromo-4-methoxy-, 2-chlorophenyl ester
Database identifiers
- CAS
496033-90-0- PubChem CID
- 675767
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 472.1 · 472.1±45.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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