CAS
921939-00-6 Purity
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921939-00-6 Purity
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2-Bromo-3-furonitrile
CAS
921939-06-2
Catalog Number
ACM921939062
Category
Other Products
Molecular Weight
171.97948
Molecular Formula
C5H2BrNO
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Specification
Synonyms
2-Bromo-3-furonitrile;2-Bromofuran-3-carbonitrile;2-Bromofuran-3-carbonitrile 97%
IUPAC Name
2-bromofuran-3-carbonitrile
Canonical SMILES
C1=COC(=C1C#N)Br
InChI Key
NVOHYBBWRRHLKB-UHFFFAOYSA-N
Boiling Point
242.9ºC at 760 mmHg
Melting Point
45.5-47ºC
Flash Point
100.7ºC
Density
1.8g/cm³
Exact Mass
170.93200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Bromo-3-furonitrile?
The molecular formula of 2-Bromo-3-furonitrile is C5H2BrNO.
What is the molecular weight of 2-Bromo-3-furonitrile?
The molecular weight of 2-Bromo-3-furonitrile is 171.98 g/mol.
When was 2-Bromo-3-furonitrile created and last modified?
2-Bromo-3-furonitrile was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of 2-Bromo-3-furonitrile?
The IUPAC name of 2-Bromo-3-furonitrile is 2-bromofuran-3-carbonitrile.
What is the InChI of 2-Bromo-3-furonitrile?
The InChI of 2-Bromo-3-furonitrile is InChI=1S/C5H2BrNO/c6-5-4(3-7)1-2-8-5/h1-2H.
What is the InChIKey of 2-Bromo-3-furonitrile?
The InChIKey of 2-Bromo-3-furonitrile is NVOHYBBWRRHLKB-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 2-Bromo-3-furonitrile have?
2-Bromo-3-furonitrile has 2 hydrogen bond acceptors.
What is the topological polar surface area of 2-Bromo-3-furonitrile?
The topological polar surface area of 2-Bromo-3-furonitrile is 36.9 Ų.
How many rotatable bond counts does 2-Bromo-3-furonitrile have?
2-Bromo-3-furonitrile has 0 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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