Basic information
- CAS
4144-43-8- Standard SMILES
Clc1cc2n[nH]nc2c(Cl)c1Cl- InChIKey
UPOHHKQFJSIPBW-UHFFFAOYSA-N- Molecular formula
- C6H2Cl3N3
- Average molar mass
- 222.5 g/mol
- Monoisotopic mass
- 220.93143
Names & identifiers
- Preferred name
- 4,5,6-trichloro-2H-benzotriazole
- IUPAC
- 4,5,6-trichloro-2H-benzotriazole
Names & synonyms
4,5,6-trichloro-2H-benzotriazole4144-43-8DTXSID00322577RefChem:285175DTXCID00273696NSC401566SCHEMBL4649120UPOHHKQFJSIPBW-UHFFFAOYSA-N5,6,7-trichloro-1H-benzotriazoleNSC-4015664,5,6-Trichloro-2H-1,2,3-benzotriazole1H-1,2,3-benzotriazole, 5,6,7-trichloro-
Database identifiers
- CAS
4144-43-8- PubChem CID
- 344584
- DTXSID
DTXSID00322577
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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