2,4-Dichloro-6-[(2,4,6-trimethylbenzene-1-sulfonyl)methyl]phenol
Basic information
- CAS
63988-90-9- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(C)c1- InChIKey
HNQCNXWWWLSZKI-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2O3S
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.0197209
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-[(2,4,6-trimethylbenzene-1-sulfonyl)methyl]phenol
- IUPAC
- 2,4-dichloro-6-[(2,4,6-trimethylphenyl)sulfonylmethyl]phenol
Names & synonyms
63988-90-9NSC140316DTXSID603009922,4-Dichloro-6-[(2,4,6-trimethylbenzene-1-sulfonyl)methyl]phenolPhenol,2,4-dichloro-6-[[(2,4,6-trimethylphenyl)sulfonyl]methyl]-NSC-140316DS-012174
Database identifiers
- CAS
63988-90-9- PubChem CID
- 284485
- DTXSID
DTXSID60300992
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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