CAS
898790-06-2 Purity
96%
898790-06-2 Purity
96%
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3-Chloro-4-fluorophenyl cyclopropyl ketone
CAS
898790-09-5
Catalog Number
ACM898790095
Category
Other Products
Molecular Weight
198.62
Molecular Formula
C10H8ClFO
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Specification
Synonyms
3-CHLORO-4-FLUOROPHENYL CYCLOPROPYL KETONE
IUPAC Name
(3-chloro-4-fluorophenyl)-cyclopropylmethanone
Canonical SMILES
C1CC1C(=O)C2=CC(=C(C=C2)F)Cl
InChI Key
UWLYSHCUFNFEPS-UHFFFAOYSA-N
Boiling Point
300.8ºC at 760 mmHg
Flash Point
135.7ºC
Density
1.356g/cm³
Exact Mass
198.02500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
The molecular formula is C10H8ClFO.
What is the molecular weight of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
The molecular weight is 198.62 g/mol.
When was 3-Chloro-4-fluorophenyl cyclopropyl ketone created in PubChem?
It was created on 2008-02-29.
What is the IUPAC name of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
The IUPAC name is (3-chloro-4-fluorophenyl)-cyclopropylmethanone.
What is the InChI of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
InChI=1S/C10H8ClFO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2
What is the InChIKey of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
UWLYSHCUFNFEPS-UHFFFAOYSA-N
How many hydrogen bond acceptors does 3-Chloro-4-fluorophenyl cyclopropyl ketone have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
The topological polar surface area is 17.1 Ų.
Is 3-Chloro-4-fluorophenyl cyclopropyl ketone a canonicalized compound?
Yes, it is canonicalized according to PubChem.
What is the XLogP3 value of 3-Chloro-4-fluorophenyl cyclopropyl ketone?
The XLogP3 value is 2.9.
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