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(Q83038237)
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English
alpha-Cyano-4-hydroxy-3,5-diiodobenzyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
412.9508
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₅I₂NO₂
0 references
canonical SMILES
CC(=O)OC1=C(C=C(C=C1I)C#N)I
0 references
Identifiers
InChI
InChI=1S/C9H5I2NO2/c1-5(13)14-9-7(10)2-6(4-12)3-8(9)11/h2-3H,1H3
0 references
InChIKey
IXJCNATXMBKYKO-UHFFFAOYSA-N
0 references
CAS Registry Number
1689-85-6
1 reference
InChIKey
IXJCNATXMBKYKO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1689-85-6
PubChem CID
74320
1 reference
matched by identifier from
InChIKey
InChIKey
IXJCNATXMBKYKO-UHFFFAOYSA-N
UniChem compound ID
57731444
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70168621
1 reference
matched by identifier from
InChIKey
InChIKey
IXJCNATXMBKYKO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID8091112
0 references
UNII
ZQ3MA7M32M
1 reference
matched by identifier from
InChIKey
InChIKey
IXJCNATXMBKYKO-UHFFFAOYSA-N
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