CAS
94854-05-4 Purity
96%
94854-05-4 Purity
96%
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3-Bromo-4-chlorobenzonitrile
CAS
948549-53-9
Catalog Number
ACM948549539
Category
Other Products
Molecular Weight
216.46242
Molecular Formula
C7H3BrClN
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Specification
Synonyms
3-bromo-4-chlorobenzonitrile, 948549-53-9, ACMC-209ru8, SureCN13838518, 3-Bromo-4-chloro-benzonitrile, 3-Bromo-4-chlorobenzonitrile,, CTK5H7207, MolPort-003-855-223, ACN-S004591, ANW-40350, ZINC22007383, AKOS015834339, AC-1831, AG-L-25234, RP26999, AK-36962, BR-36962, KB-30203, WT-130235, FT-0682144
IUPAC Name
3-bromo-4-chlorobenzonitrile
Canonical SMILES
C1=CC(=C(C=C1C#N)Br)Cl
InChI Key
GTTSCQCUEKBTNZ-UHFFFAOYSA-N
Boiling Point
260.2ºC at 760 mmHg
Flash Point
111.1ºC
Density
1.74g/cm³
Exact Mass
214.91400
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-Bromo-4-chlorobenzonitrile?
The molecular formula of 3-Bromo-4-chlorobenzonitrile is C7H3BrClN.
What is the molecular weight of 3-Bromo-4-chlorobenzonitrile?
The molecular weight of 3-Bromo-4-chlorobenzonitrile is 216.46 g/mol.
What is the IUPAC name of 3-Bromo-4-chlorobenzonitrile?
The IUPAC name of 3-Bromo-4-chlorobenzonitrile is 3-bromo-4-chlorobenzonitrile.
What is the InChIKey of 3-Bromo-4-chlorobenzonitrile?
The InChIKey of 3-Bromo-4-chlorobenzonitrile is GTTSCQCUEKBTNZ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromo-4-chlorobenzonitrile?
The canonical SMILES of 3-Bromo-4-chlorobenzonitrile is C1=CC(=C(C=C1C#N)Br)Cl.
What is the CAS number of 3-Bromo-4-chlorobenzonitrile?
The CAS number of 3-Bromo-4-chlorobenzonitrile is 948549-53-9.
How many hydrogen bond acceptor count does 3-Bromo-4-chlorobenzonitrile have?
3-Bromo-4-chlorobenzonitrile has 1 hydrogen bond acceptor count.
What is the topological polar surface area of 3-Bromo-4-chlorobenzonitrile?
The topological polar surface area of 3-Bromo-4-chlorobenzonitrile is 23.8 Å2.
How many rotatable bond count does 3-Bromo-4-chlorobenzonitrile have?
3-Bromo-4-chlorobenzonitrile has 0 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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