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3-(1-Cyanocyclopropyl)benzoyl chloride (HCID 86631982)|Huagongshe
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Compound
3-(1-Cyanocyclopropyl)benzoyl chloride
HCID
86631982
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
N#CC1(c2cccc(C(=O)Cl)c2)CC1
InChIKey
MLIKAYYJXGFVRN-UHFFFAOYSA-N
Molecular formula
C11H8ClNO
Average molar mass
205.64 g/mol
Names & identifiers
Preferred name
3-(1-Cyanocyclopropyl)benzoyl chloride
IUPAC
3-(1-cyanocyclopropyl)benzoyl chloride
Names & synonyms
3-(1-cyanocyclopropyl)benzoyl chloride
SCHEMBL2193952
MLIKAYYJXGFVRN-UHFFFAOYSA-N
Database identifiers
PubChem CID
86631982
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
300
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Related reactions
22 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
115959
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
198432
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
300756
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
819980
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1215356
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1239808
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1800386
As product
uspto-grants-2013_01
HRID
1800387
As reactant
uspto-grants-2013_01
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