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4-chloro-3-methylcatechol
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
monochlorobenzene
0 references
mass
158.013457144
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₇ClO₂
0 references
canonical SMILES
CC1=C(C=CC(=C1O)O)Cl
0 references
Identifiers
InChI
InChI=1S/C7H7ClO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3
0 references
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
18257-21-1
1 reference
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=18257-21-1
PubChem CID
87531
1 reference
matched by identifier from
InChIKey
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
Reaxys registry number
9996267
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
142282
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H7ClO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3
UniChem compound ID
34440654
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20171307
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2093798
0 references
UNII
UN7LXF2DWW
1 reference
matched by identifier from
InChIKey
InChIKey
IRYAHOGVOVVMOG-UHFFFAOYSA-N
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