CAS
93839-08-8 Purity
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93839-08-8 Purity
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![4,5-Dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulfate](https://resource.alfa-chemistry.com/structure/93839-22-6.gif)
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2-Chloro-6-fluorophenylacetone
CAS
93839-16-8
Catalog Number
ACM93839168
Category
Other Products
Molecular Weight
186.61
Molecular Formula
C9H8ClFO
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Specification
Synonyms
2-CHLORO-6-FLUOROPHENYLACETONE;2-Chloro-6-fluorophenylacetone 96%;2-Chloro-6-fluorophenylacetone96%;1-(2-Chloro-6-fluorophenyl)-2-propanone;2-Chloro-6-fluorophenylacetone,99%
IUPAC Name
1-(2-chloro-6-fluorophenyl)propan-2-one
Canonical SMILES
CC(=O)CC1=C(C=CC=C1Cl)F
InChI Key
HLPLFUDXBAYJTD-UHFFFAOYSA-N
Boiling Point
232.1ºC at 760 mmHg
Flash Point
94.1ºC
Density
1.227 g/cm³
Appearance
clear slightly yellow liquid
EC Number
298-786-5
Exact Mass
186.02500
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Physical Description
2-Chloro-6-fluorophenylacetone 99% (1g)
Safety Description
S24/25
What is the molecular formula of 2-Chloro-6-fluorophenylacetone?
The molecular formula of 2-Chloro-6-fluorophenylacetone is C9H8ClFO.
When was 2-Chloro-6-fluorophenylacetone created and modified?
It was created on July 19, 2005, and modified on December 23, 2023.
What is the IUPAC Name of 2-Chloro-6-fluorophenylacetone?
The IUPAC Name of 2-Chloro-6-fluorophenylacetone is 1-(2-chloro-6-fluorophenyl)propan-2-one.
What is the InChIKey of 2-Chloro-6-fluorophenylacetone?
The InChIKey of 2-Chloro-6-fluorophenylacetone is HLPLFUDXBAYJTD-UHFFFAOYSA-N.
What is the molecular weight of 2-Chloro-6-fluorophenylacetone?
The molecular weight of 2-Chloro-6-fluorophenylacetone is 186.61 g/mol.
What is the Canonical SMILES of 2-Chloro-6-fluorophenylacetone?
The Canonical SMILES of 2-Chloro-6-fluorophenylacetone is CC(=O)CC1=C(C=CC=C1Cl)F.
How many hydrogen bond acceptor counts are there in 2-Chloro-6-fluorophenylacetone?
There are 2 hydrogen bond acceptor counts in 2-Chloro-6-fluorophenylacetone.
What is the topological polar surface area of 2-Chloro-6-fluorophenylacetone?
The topological polar surface area of 2-Chloro-6-fluorophenylacetone is 17.1 Ų.
Is 2-Chloro-6-fluorophenylacetone a canonicalized compound?
Yes, 2-Chloro-6-fluorophenylacetone is a canonicalized compound.
How many heavy atoms are there in 2-Chloro-6-fluorophenylacetone?
There are 12 heavy atoms in 2-Chloro-6-fluorophenylacetone.
When was 2-Chloro-6-fluorophenylacetone created and last modified?
2-Chloro-6-fluorophenylacetone was created on July 19, 2005, and last modified on December 30, 2023.
What is the InChI of 2-Chloro-6-fluorophenylacetone?
The InChI of 2-Chloro-6-fluorophenylacetone is InChI=1S/C9H8ClFO/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3.
How many hydrogen bond acceptor counts does 2-Chloro-6-fluorophenylacetone have?
2-Chloro-6-fluorophenylacetone has 2 hydrogen bond acceptor counts.
What is the exact mass of 2-Chloro-6-fluorophenylacetone?
The exact mass of 2-Chloro-6-fluorophenylacetone is 186.0247707 g/mol.
How many rotatable bond counts does 2-Chloro-6-fluorophenylacetone have?
2-Chloro-6-fluorophenylacetone has 2 rotatable bond counts.
How many defined atom stereocenter counts does 2-Chloro-6-fluorophenylacetone have?
2-Chloro-6-fluorophenylacetone has 0 defined atom stereocenter counts.
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