(3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one
Basic information
- CAS
142350-88-7- Standard SMILES
CC(=O)/C(=C(/Br)I)c1ccccc1- InChIKey
HFETZVUWYDOJFD-MDZDMXLPSA-N- Molecular formula
- C10H8BrIO
- Average molar mass
- 350.98 g/mol
- Monoisotopic mass
- 349.88033
Names & identifiers
- Preferred name
- (3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one
- IUPAC
- (Z)-4-bromo-4-iodo-3-phenylbut-3-en-2-one
Names & synonyms
(3Z)-4-Bromo-4-iodo-3-phenyl-3-buten-2-one142350-88-7RefChem:208405(Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-oneNSC657561SCHEMBL9115241CHEMBL1981227DTXSID401267011NSC-657561(3Z)-4-Bromo-4-iodo-3-phenylbut-3-en-2-one
Database identifiers
- CAS
142350-88-7- PubChem CID
- 5467656
- DTXSID
DTXSID401267011- ChEMBL
CHEMBL1981227
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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