4,5-Dichloro-1-methoxy-1H-benzotriazole
Basic information
- CAS
76278-90-5- Standard SMILES
COn1nnc2c(Cl)c(Cl)ccc21- InChIKey
ADOJOBDYZTXYDE-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2N3O
- Average molar mass
- 218.04 g/mol
- Monoisotopic mass
- 216.9809672
Names & identifiers
- Preferred name
- 4,5-Dichloro-1-methoxy-1H-benzotriazole
- IUPAC
- 4,5-dichloro-1-methoxybenzotriazole
Names & synonyms
76278-90-5NSC3151474,5-Dichloro-1-methoxy-1H-benzotriazoleSCHEMBL11120538DTXSID70317374NSC-3151474,5-Dichloro-1-methoxy-1H-1,2,3-benzotriazole
Database identifiers
- CAS
76278-90-5- PubChem CID
- 329896
- DTXSID
DTXSID70317374
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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