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English
Ethyl 3-iodo-4-methylbenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
289.98037759199997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₁IO₂
0 references
canonical SMILES
CCOC(=O)C1=CC(=C(C=C1)C)I
0 references
Identifiers
InChI
InChI=1S/C10H11IO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
0 references
InChIKey
KMIVUJKEQAPRIH-UHFFFAOYSA-N
0 references
CAS Registry Number
859212-59-2
1 reference
InChIKey
KMIVUJKEQAPRIH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=859212-59-2
PubChem CID
23073518
1 reference
matched by identifier from
InChIKey
InChIKey
KMIVUJKEQAPRIH-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2228061
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KMIVUJKEQAPRIH-UHFFFAOYSA-N
UniChem compound ID
1250998
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50630270
1 reference
matched by identifier from
InChIKey
InChIKey
KMIVUJKEQAPRIH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60581022
0 references
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