CAS
898790-33-5 Purity
96%
898790-33-5 Purity
96%
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Cyclopropyl 3,4,5-trifluorophenyl ketone
CAS
898790-36-8
Catalog Number
ACM898790368
Category
Other Products
Molecular Weight
200.16
Molecular Formula
C10H7F3O
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Specification
Synonyms
CYCLOPROPYL 3,4,5-TRIFLUOROPHENYL KETONE
IUPAC Name
cyclopropyl-(3,4,5-trifluorophenyl)methanone
Canonical SMILES
C1CC1C(=O)C2=CC(=C(C(=C2)F)F)F
InChI Key
OTZGKNDQZVPBAX-UHFFFAOYSA-N
Boiling Point
260.1ºC at 760 mmHg
Flash Point
103.3ºC
Density
1.4g/cm³
Exact Mass
200.04500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The molecular formula is C10H7F3O.
When was the PubChem CID created for Cyclopropyl 3,4,5-trifluorophenyl ketone?
It was created on February 29, 2008.
What is the molecular weight of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The molecular weight is 200.16 g/mol.
What is the IUPAC name of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The IUPAC name is cyclopropyl-(3,4,5-trifluorophenyl)methanone.
What is the Canonical SMILES representation of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The Canonical SMILES is C1CC1C(=O)C2=CC(=C(C(=C2)F)F)F.
How many hydrogen bond acceptor counts does Cyclopropyl 3,4,5-trifluorophenyl ketone have?
It has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The XLogP3-AA value is 2.4.
What is the Topological Polar Surface Area of Cyclopropyl 3,4,5-trifluorophenyl ketone?
The Topological Polar Surface Area is 17.1 Ų.
How many rotatable bond counts does Cyclopropyl 3,4,5-trifluorophenyl ketone have?
It has 2 rotatable bond counts.
Is the compound is canonicalized for Cyclopropyl 3,4,5-trifluorophenyl ketone?
Yes, the compound is canonicalized.
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