Basic information
- CAS
13350-05-5- Standard SMILES
Clc1cccc(OCC#CI)c1Cl- InChIKey
XZBRDHNQFLOYLB-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2IO
- Average molar mass
- 326.94 g/mol
- Monoisotopic mass
- 325.87622
Names & identifiers
- Preferred name
- 1,2-Dichloro-3-(3-iodoprop-2-ynoxy)benzene
- IUPAC
- 1,2-dichloro-3-(3-iodoprop-2-ynoxy)benzene
Names & synonyms
1,2-dichloro-3-(3-iodoprop-2-ynoxy)benzene13350-05-5DTXSID002748001,2-DICHLORO-3-[(3-IODOPROP-2-YN-1-YL)OXY]BENZENE
Database identifiers
- CAS
13350-05-5- PubChem CID
- 25901
- DTXSID
DTXSID00274800
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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