Basic information
- CAS
14611-70-2- Standard SMILES
Oc1c(Cl)cc(N=C=S)cc1Cl- InChIKey
BVNXYDCEURLGRS-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NOS
- Average molar mass
- 220.07 g/mol
- Monoisotopic mass
- 218.9312403
Names & identifiers
- Preferred name
- 2,6-Dichloro-4-isothiocyanatophenol
- IUPAC
- 2,6-dichloro-4-isothiocyanatophenol
Names & synonyms
2,6-dichloro-4-isothiocyanatophenol56257-14-8SCHEMBL11884642DTXSID70932763EINECS 238-648-3SBB0958833,5-dichloro-4-hydroxybenzenisothiocyanateAN-806/25032003
Database identifiers
- CAS
14611-70-2- PubChem CID
- 84553
- DTXSID
DTXSID70932763
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…