CAS
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4-[(4-Fluorophenyl)thio]butan-2-one
Catalog Number
ACMA00001671
Category
Aryl Fluorinated Building Blocks
Molecular Weight
198.26
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Specification
Hazard Statements
H302
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula is C10H11FOS.
What is the IUPAC name of the compound?
The IUPAC name is 4-(4-fluorophenyl)sulfanylbutan-2-one.
What is the molecular weight of the compound?
The molecular weight is 198.26 g/mol.
What is the InChIKey of the compound?
The InChIKey is OBEQFWIFNCWDBF-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 198.05146431 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 42.4 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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