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Cinnamyl trichloroacetimidate (HCID 316906)|Huagongshe
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Compound
Cinnamyl trichloroacetimidate
HCID
316906
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
N=C(OCC=Cc1ccccc1)C(Cl)(Cl)Cl
InChIKey
GLDKSYZZEFAGMD-UHFFFAOYSA-N
Molecular formula
C11H10Cl3NO
Average molar mass
278.6 g/mol
Names & identifiers
Preferred name
Cinnamyl trichloroacetimidate
IUPAC
3-phenylprop-2-enyl 2,2,2-trichloroethanimidate
Names & synonyms
cinnamyl trichloroacetimidate
SCHEMBL8718564
GLDKSYZZEFAGMD-UHFFFAOYSA-N
Database identifiers
PubChem CID
316906
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
254
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Show all 8 / 8
Related reactions
16 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
123684
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
148235
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
373262
As reactant
uspto-grants-1992_11
HRID
865571
As reactant
uspto-grants-1996_10
HRID
865576
As reactant
uspto-grants-1996_10
HRID
865578
As reactant
uspto-grants-1996_10
HRID
1128677
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1132844
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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