CAS
92566-43-3 Purity
96%
92566-43-3 Purity
96%
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5-Bromo-2-cyanobenzeneacetonitrile
CAS
925672-88-4
Catalog Number
ACM925672884
Category
Other Products
Molecular Weight
221.053400 [g/mol]
Molecular Formula
C9H5BrN2
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Specification
Synonyms
5-Bromo-2-cyanobenzeneacetonitrile, 925672-88-4, AGN-PC-00S5QK, SureCN1519547, CTK8B5898, MolPort-019-918-598, 4-bromo-2-(cyanomethyl)benzonitrile, ANW-50939, AKOS015834803, Benzeneacetonitrile, 5-bromo-2-cyano-, AK-24610, BR-24610, KB-244951, W9548
IUPAC Name
4-bromo-2-(cyanomethyl)benzonitrile
Canonical SMILES
C1=CC(=C(C=C1Br)CC#N)C#N
InChI Key
ULEYEDQUDZWJBR-UHFFFAOYSA-N
Boiling Point
345.2ºC at 760 mmHg
Flash Point
162.6ºC
Density
1.58g/cm³
Exact Mass
219.96400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 5-Bromo-2-cyanobenzeneacetonitrile?
The molecular formula of 5-Bromo-2-cyanobenzeneacetonitrile is C9H5BrN2.
What is the molecular weight of 5-Bromo-2-cyanobenzeneacetonitrile?
The molecular weight of 5-Bromo-2-cyanobenzeneacetonitrile is 221.05 g/mol.
When was 5-Bromo-2-cyanobenzeneacetonitrile created in PubChem?
5-Bromo-2-cyanobenzeneacetonitrile was created in PubChem on 2007-05-07.
What is the IUPAC name of 5-Bromo-2-cyanobenzeneacetonitrile?
The IUPAC name of 5-Bromo-2-cyanobenzeneacetonitrile is 4-bromo-2-(cyanomethyl)benzonitrile.
What is the InChI key of 5-Bromo-2-cyanobenzeneacetonitrile?
The InChI key of 5-Bromo-2-cyanobenzeneacetonitrile is ULEYEDQUDZWJBR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 5-Bromo-2-cyanobenzeneacetonitrile have?
5-Bromo-2-cyanobenzeneacetonitrile has 2 hydrogen bond acceptors.
What is the topological polar surface area of 5-Bromo-2-cyanobenzeneacetonitrile?
The topological polar surface area of 5-Bromo-2-cyanobenzeneacetonitrile is 47.6 Å^2.
Is 5-Bromo-2-cyanobenzeneacetonitrile a canonicalized compound in PubChem?
Yes, 5-Bromo-2-cyanobenzeneacetonitrile is a canonicalized compound in PubChem.
How many rotatable bonds does 5-Bromo-2-cyanobenzeneacetonitrile have?
5-Bromo-2-cyanobenzeneacetonitrile has 1 rotatable bond.
What is the XLogP3-AA value of 5-Bromo-2-cyanobenzeneacetonitrile?
The XLogP3-AA value of 5-Bromo-2-cyanobenzeneacetonitrile is 2.
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