4-Chloro-3-methylcatechol
Basic information
- CAS
18257-21-1- Standard SMILES
Cc1c(Cl)ccc(O)c1O- InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N- Molecular formula
- C7H7ClO2
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.0134572
Overview
4-chloro-3-methylcatechol is a chlorocatechol that is catechol which is substituted by a methyl group at position 3 and a chlorine at position 4. It is a chlorocatechol, a methylcatechol and a member of monochlorobenzenes. It is functionally related to a 3-methylcatechol.
Names & identifiers
- Preferred name
- 4-Chloro-3-methylcatechol
- IUPAC
- 4-chloro-3-methylbenzene-1,2-diol
- English name
- 4-chloro-3-methylpyrocatechol
- Molecular formula
- C7H7ClO2
- Molecular weight
- 158.58228
Names & synonyms
4-chloro-3-methylbenzene-1,2-diol4-Chloro-3-methylpyrocatechol4-chloro-3-methylcatecholUN7LXF2DWWEINECS 242-129-74-Chloro-3-methyl-1,2-benzenediol1,2-Benzenediol, 4-chloro-3-methyl-CHEBI:142282DTXSID201713074-chloro-1,2-dihydroxy-3-methylbenzenePYROCATECHOL, 4-CHLORO-3-METHYL-RefChem:98437
Show more names
DTXCID2093798242-129-718257-21-1UNII-UN7LXF2DWWSCHEMBL3684342IRYAHOGVOVVMOG-UHFFFAOYSA-NNS00026009EN300-1599527
Database identifiers
- CAS
18257-21-1- PubChem CID
- 87531
- DTXSID
DTXSID20171307- ChEBI
CHEBI:142282- UNII
- UN7LXF2DWW
- EC Number
- 242-129-7
- Nikkaji
- J266.078D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- FDA UNII
- 7 LXF2DWW · UN7LXF2DWW
Chemistry & industry
Additional notes
DefinitionChEBI: 4-chloro-3-methylcatechol is a chlorocatechol that is catechol which is substituted by a methyl group at position 3 and a chlorine at position 4. It is a methylcatechol, a chlorocatechol and a member of monochlorobenzenes. It is functionally related to a 3-methylcatechol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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