CAS
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3-Cyano-4-fluorobenzyl bromide
Catalog Number
ACMA00001830
Category
Aryl Fluorinated Building Blocks
Molecular Weight
214.03
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 3-Cyano-4-fluorobenzyl bromide?
The molecular formula is C8H5BrFN.
When was the structure of 3-Cyano-4-fluorobenzyl bromide created?
The structure was created on 2005-07-19.
What is the IUPAC Name of 3-Cyano-4-fluorobenzyl bromide?
The IUPAC Name is 5-(bromomethyl)-2-fluorobenzonitrile.
What is the InChIKey of 3-Cyano-4-fluorobenzyl bromide?
The InChIKey is GUUKPGIJZYZERR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3-Cyano-4-fluorobenzyl bromide have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of 3-Cyano-4-fluorobenzyl bromide?
The topological polar surface area is 23.8 Ų.
Does 3-Cyano-4-fluorobenzyl bromide have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
What is the formal charge of 3-Cyano-4-fluorobenzyl bromide?
The formal charge is 0.
How many covalently-bonded units are there in 3-Cyano-4-fluorobenzyl bromide?
There is 1 covalently-bonded unit.
Is 3-Cyano-4-fluorobenzyl bromide canonicalized?
Yes, the compound is canonicalized.
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