Basic information
- CAS
120277-74-9- Standard SMILES
ClCC1N=CN=N1- InChIKey
FUOAFYNKRYZUKS-UHFFFAOYSA-N- Molecular formula
- C3H4ClN3
- Average molar mass
- 117.54 g/mol
- Monoisotopic mass
- 117.0093748
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-3H-1,2,4-triazole
- IUPAC
- 3-(chloromethyl)-3H-1,2,4-triazole
Names & synonyms
SCHEMBL27400172DTXSID2012984543-(Chloromethyl)-3H-1,2,4-triazole120277-74-9
Database identifiers
- CAS
120277-74-9- PubChem CID
- 85589321
- DTXSID
DTXSID201298454
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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