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3-(3-Chloro-4-fluorophenyl)pyrrolidin-3-ol (HCID 68517837)|Huagongshe
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Compound
3-(3-Chloro-4-fluorophenyl)pyrrolidin-3-ol
HCID
68517837
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
OC1(c2ccc(F)c(Cl)c2)CCNC1
InChIKey
NMIADCZEHZUXAC-UHFFFAOYSA-N
Molecular formula
C10H11ClFNO
Average molar mass
215.65 g/mol
Names & identifiers
Preferred name
3-(3-Chloro-4-fluorophenyl)pyrrolidin-3-ol
IUPAC
3-(3-chloro-4-fluorophenyl)pyrrolidin-3-ol
Names & synonyms
SCHEMBL3116674
NMIADCZEHZUXAC-UHFFFAOYSA-N
3-(3-chloro-4-fluorophenyl)pyrrolidin-3-ol
Database identifiers
PubChem CID
68517837
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
216
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
106045
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
680194
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
702283
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1931796
As reactant
uspto-grants-2012_05
HRID
1931811
As reactant
uspto-grants-2012_05
HRID
1931862
As product
uspto-grants-2012_05
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Compound notes
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