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Structure

3-Chloro-4-fluorophenyl cyclobutyl ketone

CAS
898790-88-0
Catalog Number
ACM898790880
Category
Other Products
Molecular Weight
212.65
Molecular Formula
C11H10ClFO

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Specification

Synonyms
3-CHLORO-4-FLUOROPHENYL CYCLOBUTYL KETONE
IUPAC Name
(3-chloro-4-fluorophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=C(C=C2)F)Cl
InChI Key
GGIHPGSAKSWCOX-UHFFFAOYSA-N
Boiling Point
316.9ºC at 760 mmHg
Flash Point
145.5ºC
Density
1.295g/cm³
Exact Mass
212.04000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The molecular formula of 3-Chloro-4-fluorophenyl cyclobutyl ketone is C11H10ClFO.

When was 3-Chloro-4-fluorophenyl cyclobutyl ketone created and last modified?

3-Chloro-4-fluorophenyl cyclobutyl ketone was created on 2008-02-29 and last modified on 2023-12-30.

What are some synonyms for 3-Chloro-4-fluorophenyl cyclobutyl ketone?

Some synonyms for 3-Chloro-4-fluorophenyl cyclobutyl ketone include 898790-88-0, (3-chloro-4-fluorophenyl)-cyclobutylmethanone, and MFCD03841272.

What is the molecular weight of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The molecular weight of 3-Chloro-4-fluorophenyl cyclobutyl ketone is 212.65 g/mol.

What is the IUPAC name of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The IUPAC name of 3-Chloro-4-fluorophenyl cyclobutyl ketone is (3-chloro-4-fluorophenyl)-cyclobutylmethanone.

What is the InChI of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The InChI of 3-Chloro-4-fluorophenyl cyclobutyl ketone is InChI=1S/C11H10ClFO/c12-9-6-8(4-5-10(9)13)11(14)7-2-1-3-7/h4-7H,1-3H2.

How many hydrogen bond acceptor counts does 3-Chloro-4-fluorophenyl cyclobutyl ketone have?

3-Chloro-4-fluorophenyl cyclobutyl ketone has 2 hydrogen bond acceptor counts.

What is the XLogP3 value of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The XLogP3 value of 3-Chloro-4-fluorophenyl cyclobutyl ketone is 3.4.

What is the topological polar surface area of 3-Chloro-4-fluorophenyl cyclobutyl ketone?

The topological polar surface area of 3-Chloro-4-fluorophenyl cyclobutyl ketone is 17.1 Ų.

Is 3-Chloro-4-fluorophenyl cyclobutyl ketone a canonicalized compound?

Yes, 3-Chloro-4-fluorophenyl cyclobutyl ketone is a canonicalized compound.

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