CAS
898791-65-6 Purity
96%
898791-65-6 Purity
96%
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4-Bromo-2-fluorophenyl cyclopentyl ketone
CAS
898791-68-9
Catalog Number
ACM898791689
Category
Other Products
Molecular Weight
271.13
Molecular Formula
C12H12BrFO
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Specification
Synonyms
4-BROMO-2-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(4-bromo-2-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=C(C=C(C=C2)Br)F
InChI Key
KTADRIGCYYEHGL-UHFFFAOYSA-N
Boiling Point
336.5ºC at 760 mmHg
Flash Point
157.3ºC
Density
1.456g/cm³
Exact Mass
270.00600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Bromo-2-fluorophenyl cyclopentyl ketone?
The molecular formula is C12H12BrFO.
When was 4-Bromo-2-fluorophenyl cyclopentyl ketone created?
It was created on February 29, 2008.
What is the molecular weight of 4-Bromo-2-fluorophenyl cyclopentyl ketone?
The molecular weight is 271.12 g/mol.
What is the InChIKey of 4-Bromo-2-fluorophenyl cyclopentyl ketone?
The InChIKey is KTADRIGCYYEHGL-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 4-Bromo-2-fluorophenyl cyclopentyl ketone?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of 4-Bromo-2-fluorophenyl cyclopentyl ketone?
The topological polar surface area is 17.1 Å2.
How many defined atom stereocenter counts are there in 4-Bromo-2-fluorophenyl cyclopentyl ketone?
There are 0 defined atom stereocenter counts.
Is 4-Bromo-2-fluorophenyl cyclopentyl ketone considered canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of 4-Bromo-2-fluorophenyl cyclopentyl ketone?
The complexity value is 238.
How many rotatable bond counts are there in 4-Bromo-2-fluorophenyl cyclopentyl ketone?
There are 2 rotatable bond counts.
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