Basic information
- CAS
887757-26-8- Standard SMILES
COC(=O)c1ccc(Br)c(OCCBr)c1- InChIKey
CNUQCTSDWAMQMQ-UHFFFAOYSA-N- Molecular formula
- C10H10Br2O3
- Average molar mass
- 337.99 g/mol
- Monoisotopic mass
- 335.89967
Names & identifiers
- Preferred name
- Methyl 4-bromo-3-(2-bromoethoxy)benzoate
- IUPAC
- methyl 4-bromo-3-(2-bromoethoxy)benzoate
Names & synonyms
methyl 4-bromo-3-(2-bromoethoxy)benzoate887757-26-8SCHEMBL4913133DTXSID301276980DB-172252Benzoic acid, 4-bromo-3-(2-bromoethoxy)-, methyl ester
Database identifiers
- CAS
887757-26-8- PubChem CID
- 69239136
- DTXSID
DTXSID301276980
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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