Basic information
- CAS
339311-81-8- Standard SMILES
O=C(CC(O)C(Cl)(Cl)Cl)c1ccc(Br)cc1- InChIKey
ACTXJPUTDGCSGH-UHFFFAOYSA-N- Molecular formula
- C10H8BrCl3O2
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 343.87733
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-4,4,4-trichloro-3-hydroxybutan-1-one
- IUPAC
- 1-(4-bromophenyl)-4,4,4-trichloro-3-hydroxybutan-1-one
Names & synonyms
1-(4-bromophenyl)-4,4,4-trichloro-3-hydroxybutan-1-one339311-81-8DTXSID90403127RefChem:224904DTXCID40353981STK672837AKOS005592899
Database identifiers
- CAS
339311-81-8- PubChem CID
- 4422015
- DTXSID
DTXSID90403127- Nikkaji
- J2.416.165J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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