CHEBI:142284 - 3-chloro-4-methylcatechol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-chloro-4-methylcatechol ChEBI ID CHEBI:142284 Definition A chlorocatechol that is catechol which is substituted by a chlorine at position 3 and a methyl group at position 4. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H7ClO2 Net Charge 0 Average Mass 158.582 Monoisotopic Mass 158.01346 InChI InChI=1S/C7H7ClO2/c1-4-2-3-5(9)7(10)6(4)8/h2-3,9-10H,1H3 InChIKey KMTSTVDXZGLBBJ-UHFFFAOYSA-N SMILES C=1(C(=C(C=CC1O)C)Cl)O ChEBI Ontology Outgoing 3-chloro-4-methylcatechol (CHEBI:142284) has functional parent 4-methylcatechol (CHEBI:17254) 3-chloro-4-methylcatechol (CHEBI:142284) is a chlorocatechol (CHEBI:23138) 3-chloro-4-methylcatechol (CHEBI:142284) is a methylcatechol (CHEBI:25289) 3-chloro-4-methylcatechol (CHEBI:142284) is a monochlorobenzenes (CHEBI:83403) IUPAC Name 3-chloro-4-methylbenzene-1,2-diol Synonyms Sources 2-chloro-3,4-dihydroxytoluene ChEBI 3-chloro-4-methyl-1,2-benzenediol ChemIDplus 3-chloro-4-methylcatechol UniProt Manual Xref Database CPD-18114 MetaCyc View more database links Registry Numbers Types Sources 174509-39-8 CAS Registry Number ChemIDplus 8254915 Reaxys Registry Number Reaxys Citations Types Sources 11823201 PubMed citation SUBMITTER 15774876 PubMed citation Europe PMC Last Modified 21 September 2018