4-(4-bromobutoxy)benzoic Acid
Basic information
- CAS
88931-96-8- Standard SMILES
O=C(O)c1ccc(OCCCCBr)cc1- InChIKey
POYAWPQEMKAEJE-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 4-(4-bromobutoxy)benzoic Acid
- IUPAC
- 4-(4-bromobutoxy)benzoic acid
Names & synonyms
88931-96-84-(4-bromobutoxy)benzoic AcidSCHEMBL5482659DTXSID20399665
Database identifiers
- CAS
88931-96-8- PubChem CID
- 4130461
- DTXSID
DTXSID20399665
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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