CAS
898790-97-1 Purity
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898790-97-1 Purity
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4-Bromo-2-fluorophenyl cyclobutyl ketone
CAS
898791-00-9
Catalog Number
ACM898791009
Category
Other Products
Molecular Weight
257.1
Molecular Formula
C11H10BrFO
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Specification
Synonyms
4-BROMO-2-FLUOROPHENYL CYCLOBUTYL KETONE
IUPAC Name
(4-bromo-2-fluorophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=C(C=C(C=C2)Br)F
InChI Key
VSKSBIGVZUIRIK-UHFFFAOYSA-N
Boiling Point
320.3ºC at 760 mmHg
Flash Point
147.5ºC
Density
1.526g/cm³
Exact Mass
255.99000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The molecular formula of 4-Bromo-2-fluorophenyl cyclobutyl ketone is C11H10BrFO.
When was 4-Bromo-2-fluorophenyl cyclobutyl ketone created in PubChem?
It was created on February 29, 2008.
What is the molecular weight of 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The molecular weight is 257.10 g/mol.
What is the IUPAC name of 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The IUPAC name is (4-bromo-2-fluorophenyl)-cyclobutylmethanone.
What is the Canonical SMILES notation for 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The Canonical SMILES is C1CC(C1)C(=O)C2=C(C=C(C=C2)Br)F.
How many hydrogen bond acceptor counts are there in 4-Bromo-2-fluorophenyl cyclobutyl ketone?
There are 2 hydrogen bond acceptor counts.
What is the XLogP3-AA value for 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The XLogP3-AA value is 3.4.
What is the topological polar surface area of 4-Bromo-2-fluorophenyl cyclobutyl ketone?
The topological polar surface area is 17.1 Ų.
How many rotatable bond counts are there in 4-Bromo-2-fluorophenyl cyclobutyl ketone?
There are 2 rotatable bond counts.
Is 4-Bromo-2-fluorophenyl cyclobutyl ketone considered canonicalized in PubChem?
Yes, it is considered canonicalized in PubChem.
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