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2-Chlorophenyl propionate

HCID 346189
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
60202-89-3
Standard SMILES
CCC(=O)Oc1ccccc1Cl
InChIKey
YVVXKLRCRMYJIP-UHFFFAOYSA-N
Molecular formula
C9H9ClO2
Average molar mass
184.62 g/mol
Monoisotopic mass
184.02910721

Names & identifiers

Preferred name
2-Chlorophenyl propionate
IUPAC
(2-chlorophenyl) propanoate

Names & synonyms

60202-89-32-chlorophenyl propionate(2-chlorophenyl) propanoate2-ChlorophenylpropionatePropanoic acid, 2-chlorophenyl esterMFCD08777373NSC 4043152-CHLOROPHENYL PROPANOATENSC404315Propionsaure Chlorbenzolo-chlorophenyl propionateSCHEMBL578720
Show more names
SCHEMBL9672521SCHEMBL9672526SCHEMBL9799609DTXSID20323566YVVXKLRCRMYJIP-UHFFFAOYSA-NAKOS003027599NSC-404315DB-240145

Database identifiers

CAS
60202-89-3
PubChem CID
346189
DTXSID
DTXSID20323566
EC Number
611-953-2

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
159

Related reactions

10 records
New reaction record
HRID 67859 reaction equation
HRID 67859As productuspto-grants-1982_08
HRID 67863 reaction equation
HRID 67863As productuspto-grants-1982_08
HRID 67871 reaction equation
HRID 67871As productuspto-grants-1982_08
HRID 68023 reaction equation
HRID 68023As productuspto-grants-1982_08
HRID 223610 reaction equation
HRID 223610As productuspto-grants-1982_10
HRID 223700 reaction equation
HRID 223700As productuspto-grants-1982_10
HRID 315276 reaction equation
HRID 315276As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1119037 reaction equation
HRID 1119037As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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