4-(Bromomethyl)-2-ethoxybenzoic acid
Basic information
- CAS
88709-19-7- Standard SMILES
CCOc1cc(CBr)ccc1C(=O)O- InChIKey
YLTQEXSEXHPOMC-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2-ethoxybenzoic acid
- IUPAC
- 4-(bromomethyl)-2-ethoxybenzoic acid
Names & synonyms
4-(Bromomethyl)-2-ethoxybenzoic acid88709-19-7SCHEMBL7605944DTXSID00711881
Database identifiers
- CAS
88709-19-7- PubChem CID
- 54514945
- DTXSID
DTXSID00711881
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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