3-Bromo-4-chlorobenzonitrile

CAS
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Purity
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CAS
948549-53-9
Size
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Purity
97%
Price
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Availability
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Catalog Number

ACM948549539

Product Name

3-Bromo-4-chlorobenzonitrile

Structure

Structure

CAS

948549-53-9

Category

Heterocyclic Organic Compound

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

Molecular Weight

216.46242

Molecular Formula

C₇H₃BrClN

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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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