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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:39813 - 1-iodo-2-methylbenzene
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ChEBI Ontology
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ChEBI Name
1-iodo-2-methylbenzene
ChEBI ID
CHEBI:39813
Definition
An iodoarene that is 2-methylbenzene substituted by an iodo group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7I
Net Charge
0
Average Mass
218.03500
Monoisotopic Mass
217.95925
InChI
InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
RINOYHWVBUKAQE-UHFFFAOYSA-N
SMILES
Cc1ccccc1I
ChEBI Ontology
Outgoing
1-iodo-2-methylbenzene (
CHEBI:39813
)
is a
iodoarene (
CHEBI:50891
)
1-iodo-2-methylbenzene (
CHEBI:39813
)
is a
toluenes (
CHEBI:27024
)
IUPAC Name
1-iodo-2-methylbenzene
Synonyms
Sources
2-iodotoluene
ChEBI
2-methyliodobenzene
ChEBI
2-methylphenyl iodide
ChEBI
o
-iodotoluene
ChEBI
o
-tolyl iodide
ChEBI
ortho
-iodotoluene
ChEBI
Manual Xref
Database
2IB
PDBeChem
View more database links
Registry Numbers
Types
Sources
1634294
Reaxys Registry Number
Reaxys
615-37-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
23316098
PubMed citation
Europe PMC
Last Modified
05 March 2014