4-Bromophenyl 3-chloropropanoate
Basic information
- CAS
500693-84-5- Standard SMILES
O=C(CCCl)Oc1ccc(Br)cc1- InChIKey
WKBOFYCEQNKJEW-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO2
- Average molar mass
- 263.51 g/mol
- Monoisotopic mass
- 261.93962
Names & identifiers
- Preferred name
- 4-Bromophenyl 3-chloropropanoate
- IUPAC
- (4-bromophenyl) 3-chloropropanoate
Names & synonyms
4-bromophenyl 3-chloropropanoate500693-84-5(4-bromophenyl) 3-chloropropanoateNSC151708SCHEMBL4642464DTXSID00302511MFCD18072691NSC-151708DB-153620
Database identifiers
- CAS
500693-84-5- PubChem CID
- 289535
- DTXSID
DTXSID00302511
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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