4-Chloro-2-(3,5-dichlorophenoxy)benzothiazole
Basic information
- CAS
85391-68-0- Standard SMILES
Clc1cc(Cl)cc(Oc2nc3c(Cl)cccc3s2)c1- InChIKey
CZKFUVLVALZBLH-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3NOS
- Average molar mass
- 330.6 g/mol
- Monoisotopic mass
- 328.923568
Names & identifiers
- Preferred name
- 4-Chloro-2-(3,5-dichlorophenoxy)benzothiazole
- IUPAC
- 4-chloro-2-(3,5-dichlorophenoxy)-1,3-benzothiazole
- English name
- 4-chloro-2-(3,5-dichlorophenoxy)benzothiazole
- Molecular formula
- C13H6Cl3NOS
- Molecular weight
- 330.62
Names & synonyms
85391-68-04-Chloro-2-(3,5-dichlorophenoxy)benzothiazoleEINECS 286-824-38CTH9J8QBVDTXSID50234575BENZOTHIAZOLE, 4-CHLORO-2-(3,5-DICHLOROPHENOXY)-RefChem:98339DTXCID80157066286-824-3UNII-8CTH9J8QBV4-chloro-2-(3,5-dichlorophenoxy)-1,3-benzothiazole4-chloro-2-(3,5-dichlorophenoxy)benzo[d]thiazole
Show more names
CZKFUVLVALZBLH-UHFFFAOYSA-NNS00038908
Database identifiers
- CAS
85391-68-0- PubChem CID
- 3020652
- DTXSID
DTXSID50234575- UNII
- 8CTH9J8QBV
- EC Number
- 286-824-3
- Nikkaji
- J310.371D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- FDA UNII
- 8 CTH9J8QBV · 8CTH9J8QBV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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