Pentabromophenyl butyrate
Basic information
- CAS
83929-71-9- Standard SMILES
CCCC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br- InChIKey
HQJQYDVEVAJKDJ-UHFFFAOYSA-N- Molecular formula
- C10H7Br5O2
- Average molar mass
- 558.7 g/mol
- Monoisotopic mass
- 553.63629
Names & identifiers
- Preferred name
- Pentabromophenyl butyrate
- IUPAC
- (2,3,4,5,6-pentabromophenyl) butanoate
- English name
- pentabromophenyl butyrate
- Molecular formula
- C10H7Br5O2
- Molecular weight
- 558.68138
Names & synonyms
Pentabromophenyl butyrate83929-71-9EINECS 281-365-52,3,4,5,6-Pentabromophenyl butanoatePentabromophenyl butanoatePR8HC8LM73SCHEMBL27084611DTXSID20232826HQJQYDVEVAJKDJ-UHFFFAOYSA-NNS00038365Butanoic acid, 2,3,4,5,6-pentabromophenyl esterButanoic acid pentabromophenyl ester
Show more names
Butanoic acid,2,3,4,5,6-pentabromophenyl ester
Database identifiers
- CAS
83929-71-9- PubChem CID
- 3019503
- DTXSID
DTXSID20232826- UNII
- PR8HC8LM73
- EC Number
- 281-365-5
- Nikkaji
- J332.924K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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