CAS
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4-(Bromomethyl)-2-fluorobenzonitrile
Catalog Number
ACMA00001832
Category
Aryl Fluorinated Building Blocks
Molecular Weight
214.03
Molecular Formula
C8H4FNO
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Specification
Hazard Statements
H302-H315-H318-H335
RIDADR
UN 3276 6.1 / PGIII
Symbol
GHS05
What is the molecular formula of 4-(Bromomethyl)-2-fluorobenzonitrile?
The molecular formula is C8H5BrFN.
When was the structure of 4-(Bromomethyl)-2-fluorobenzonitrile created and last modified?
The structure was created on July 19, 2005, and last modified on December 23, 2023.
What is the InChIKey of 4-(Bromomethyl)-2-fluorobenzonitrile?
The InChIKey is DJOXAJDFHGJTAP-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in the compound?
There are 2 hydrogen bond acceptors in the compound.
What is the exact mass of 4-(Bromomethyl)-2-fluorobenzonitrile?
The exact mass is 212.95894 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of 4-(Bromomethyl)-2-fluorobenzonitrile?
The complexity is 174.
How many rotatable bond counts are there in the compound?
There is 1 rotatable bond count.
What is the topological polar surface area of the compound?
The topological polar surface area is 23.8 ?2.
What is the Monoisotopic Mass of 4-(Bromomethyl)-2-fluorobenzonitrile?
The Monoisotopic Mass is 212.95894 g/mol.
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