Basic information
- CAS
29052-06-0- Standard SMILES
CCCC(=O)Oc1ccc(Br)cc1- InChIKey
PGUDBLNEUOQDEB-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- Butanoic acid, 4-bromophenyl ester
- IUPAC
- (4-bromophenyl) butanoate
- English name
- 4-bromophenyl butyrate
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.09714
Names & synonyms
4-Bromophenyl butanoateButanoic acid, 4-bromophenyl esterp-Bromophenyl butyrateButyric acid, p-bromophenyl ester29052-06-0EINECS 249-388-5AI3-18350Butanoic acid, 4-bromophenyl ester (9CI)DTXSID50183291NSC 53057RefChem:122119DTXCID60105782
Show more names
Butyric acid p-bromophenyl ester
PGUDBLNEUOQDEB-UHFFFAOYSA-N4-Bromophenyl butyrate4-Bromophenyl butyrate #SCHEMBL4732SCHEMBL4643869SCHEMBL4643872NSC53057NSC-53057
Database identifiers
- CAS
29052-06-0- PubChem CID
- 96107
- DTXSID
DTXSID50183291- EC Number
- 249-388-5
- Nikkaji
- J103.079E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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