Basic information
- CAS
2140327-34-8- Standard SMILES
[2H]c1c([2H])c(C(C#N)(CCCC)Cn2cncn2)c([2H])c([2H])c1Cl- InChIKey
HZJKXKUJVSEEFU-UGWFXTGHSA-N- Molecular formula
- C15H17ClN4
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.1392812
Names & identifiers
- Preferred name
- D4-Myclobutanil
- IUPAC
- 2-(4-chloro-2,3,5,6-tetradeuteriophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Names & synonyms
2140327-34-8D4-MyclobutanilMyclobutanil D4DTXSID001369071Myclobutanil-(phenyl-d4), analytical standard
Database identifiers
- CAS
2140327-34-8- PubChem CID
- 124202467
- DTXSID
DTXSID001369071- EC Number
- 879-833-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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