CAS
898790-18-6 Purity
96%
898790-18-6 Purity
96%
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3-Chloro-5-fluorophenyl cyclopropyl ketone
CAS
898790-21-1
Catalog Number
ACM898790211
Category
Other Products
Molecular Weight
198.62
Molecular Formula
C10H8ClFO
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Specification
Synonyms
3-CHLORO-5-FLUOROPHENYL CYCLOPROPYL KETONE
IUPAC Name
(3-chloro-5-fluorophenyl)-cyclopropylmethanone
Canonical SMILES
C1CC1C(=O)C2=CC(=CC(=C2)Cl)F
InChI Key
HHYDWKDFNRXHQZ-UHFFFAOYSA-N
Boiling Point
286.1ºC at 760 mmHg
Flash Point
126.8ºC
Density
1.356g/cm³
Exact Mass
198.02500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The molecular formula is C10H8ClFO.
What is the molecular weight of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The molecular weight is 198.62 g/mol.
What is the IUPAC name of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The IUPAC name is (3-chloro-5-fluorophenyl)-cyclopropylmethanone.
What is the InChI key of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The InChI key is HHYDWKDFNRXHQZ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The canonical SMILES is C1CC1C(=O)C2=CC(=CC(=C2)Cl)F.
What is the CAS number of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The CAS number is 898790-21-1.
What is the XLogP3-AA value of 3-Chloro-5-fluorophenyl cyclopropyl ketone?
The XLogP3-AA value is 2.8.
How many hydrogen bond donor counts are there in 3-Chloro-5-fluorophenyl cyclopropyl ketone?
There are 0 hydrogen bond donor counts.
How many rotatable bond counts are there in 3-Chloro-5-fluorophenyl cyclopropyl ketone?
There are 2 rotatable bond counts.
Is 3-Chloro-5-fluorophenyl cyclopropyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
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