CAS
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3-Bromo-2-fluorobenzonitrile
Catalog Number
ACMA00001838
Category
Aryl Fluorinated Building Blocks
Molecular Weight
200.01
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Specification
Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 3-Bromo-2-fluorobenzonitrile?
The molecular formula of 3-Bromo-2-fluorobenzonitrile is C7H3BrFN.
When was 3-Bromo-2-fluorobenzonitrile first created and when was it last modified?
3-Bromo-2-fluorobenzonitrile was first created on July 19, 2005, and last modified on December 23, 2023.
What is the IUPAC name of 3-Bromo-2-fluorobenzonitrile?
The IUPAC name of 3-Bromo-2-fluorobenzonitrile is 3-bromo-2-fluorobenzonitrile.
What is the InChI of 3-Bromo-2-fluorobenzonitrile?
The InChI of 3-Bromo-2-fluorobenzonitrile is InChI=1S/C7H3BrFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H.
What is the Canonical SMILES representation of 3-Bromo-2-fluorobenzonitrile?
The Canonical SMILES representation of 3-Bromo-2-fluorobenzonitrile is C1=CC(=C(C(=C1)Br)F)C#N.
What is the molecular weight of 3-Bromo-2-fluorobenzonitrile?
The molecular weight of 3-Bromo-2-fluorobenzonitrile is 200.01 g/mol.
How many hydrogen bond acceptors does 3-Bromo-2-fluorobenzonitrile have?
3-Bromo-2-fluorobenzonitrile has 2 hydrogen bond acceptors.
What is the topological polar surface area of 3-Bromo-2-fluorobenzonitrile?
The topological polar surface area of 3-Bromo-2-fluorobenzonitrile is 23.8 Ų.
Does 3-Bromo-2-fluorobenzonitrile have any defined atom stereocenters?
No, 3-Bromo-2-fluorobenzonitrile does not have any defined atom stereocenters.
Is 3-Bromo-2-fluorobenzonitrile a canonicalized compound?
Yes, 3-Bromo-2-fluorobenzonitrile is a canonicalized compound.
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