3,4,6-Trichloroguaiacol
Basic information
- CAS
60712-44-9- Standard SMILES
COc1c(O)c(Cl)cc(Cl)c1Cl- InChIKey
HYCQPRXDNCTPOU-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O2
- Average molar mass
- 227.5 g/mol
- Monoisotopic mass
- 225.935512
Names & identifiers
- Preferred name
- 3,4,6-Trichloroguaiacol
- IUPAC
- 3,4,6-trichloro-2-methoxyphenol
- English name
- 3,4,6-trichloroguaiacol
- Molecular formula
- C7H5Cl3O2
- Molecular weight
- 227.47
Names & synonyms
3,4,6-Trichloroguaiacol3,4,6-TRICHLORO-2-METHOXYPHENOL60712-44-93,4,6-TcgUN00674X0VDTXSID70858813RefChem:910576DTXCID20809557Trichloroguaiacol61966-36-7Phenol, trichloro-2-methoxy-UNII-UN00674X0V
Show more names
TRICHLORO-2-METHOXYPHENOLPhenol, 3,4,6-trichloro-2-methoxy-3,4,6-Trichloro-guaiacolSCHEMBL9331976SCHEMBL31213023HYCQPRXDNCTPOU-UHFFFAOYSA-N3,4,6-Trichloro-2-methoxyphenol #Q27291148
Database identifiers
- CAS
60712-44-9、61966-36-7- PubChem CID
- 43407
- DTXSID
DTXSID70858813- UNII
- UN00674X0V
- Nikkaji
- J593.432J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- FDA UNII
- 674 X0V · UN00674X0V
- EPA Substance Registry System
- 3 · 3,4,6-Trichloroguaiacol (60712-44-9)
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Compound notes
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