Kayahope
Basic information
- CAS
49828-25-3- Standard SMILES
CCCSc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1Cl- InChIKey
SPJLQKZVWZEOOR-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO3S
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.0382922
Overview
an acaricide
Names & identifiers
- Preferred name
- Kayahope
- IUPAC
- 1-chloro-4-(4-nitrophenoxy)-2-propylsulfanylbenzene
- English name
- Kayahope
- Molecular formula
- C15H14ClNO3S
- Molecular weight
- 323.79
Names & synonyms
Kayahope49828-25-3CayakhopKayakhop1-Chloro-4-(4-nitrophenoxy)-2-(propylthio)benzeneDTXSID20198099NK-592RefChem:151032DTXCID001205901-chloro-4-(4-nitrophenoxy)-2-propylsulfanylbenzeneNK 592BRN 2009972
Show more names
1-chloro-4-(4-nitrophenoxy)-2-(propylsulfanyl)benzeneBenzene, 1-chloro-4-(4-nitrophenoxy)-2-(propylthio)-orb1703286SCHEMBL29720531AKOS040745937HY-121633T24252
Database identifiers
- CAS
49828-25-3- PubChem CID
- 162579
- DTXSID
DTXSID20198099
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Density
- 1.1809 · 1.1809 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
Chemistry & industry
Applications
UsesKayahope is a fungal inhibitor[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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