4-Bromo-4-phenylbutyric acid
Basic information
- CAS
19078-75-2- Standard SMILES
O=C(O)CCC(Br)c1ccccc1- InChIKey
PWNLWGDSLXNNFG-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 4-Bromo-4-phenylbutyric acid
- IUPAC
- 4-bromo-4-phenylbutanoic acid
- English name
- 4-Bromo-4-phenylbutyric acid
- Molecular weight
- 0
Names & synonyms
4-Bromo-4-phenylbutyric acid19078-75-2Butyric acid, 4-bromo-4-phenyl-DTXSID20341846RefChem:290914DTXCID80292926PWNLWGDSLXNNFG-UHFFFAOYSA-N4-Bromo-4-phenylbutanoic acidSCHEMBL40611394-Bromo-4-phenylbutanoic acid #γ-Bromobenzenebutyric acid
Database identifiers
- CAS
19078-75-2- PubChem CID
- 576149
- DTXSID
DTXSID20341846- Nikkaji
- J103.077I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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