4-(4-Bromobutyl)benzoic acid
Basic information
- CAS
7377-04-0- Standard SMILES
O=C(O)c1ccc(CCCCBr)cc1- InChIKey
QNASQGBCQATCED-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2
- Average molar mass
- 257.12 g/mol
- Monoisotopic mass
- 256.00989
Names & identifiers
- Preferred name
- 4-(4-Bromobutyl)benzoic acid
- IUPAC
- 4-(4-bromobutyl)benzoic acid
- English name
- 4-(4-bromobutyl)benzoic acid
- Molecular formula
- C11H13BrO2
- Molecular weight
- 257.12
Names & synonyms
4-(4-bromobutyl)benzoic acid7377-04-0Benzoic acid, 4-(4-bromobutyl)-NSC210581SCHEMBL11359808DTXSID40308996MFCD20528126NSC-210581DA-22594H84047
Database identifiers
- CAS
7377-04-0- PubChem CID
- 308704
- DTXSID
DTXSID40308996
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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