CAS
98321-58-5 Purity
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98321-58-5 Purity
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1-Bromo-2-cyano-2-(4-chlorophenyl)hexane
CAS
98326-40-0
Catalog Number
ACM98326400
Category
Other Products
Molecular Weight
300.6219;g/mol
Molecular Formula
C13H15BrClN
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Specification
IUPAC Name
2-(bromomethyl)-2-(4-chlorophenyl)hexanenitrile
Canonical SMILES
CCCCC(CBr)(C#N)C1=CC=C(C=C1)Cl
InChI Key
HBKJAXWFUVAFLD-UHFFFAOYSA-N
What is the molecular formula of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The molecular formula is C13H15BrClN.
What is the molecular weight of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The molecular weight is 300.62 g/mol.
What is the IUPAC name of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The IUPAC name is 2-(bromomethyl)-2-(4-chlorophenyl)hexanenitrile.
What is the InChI of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The InChI is InChI=1S/C13H15BrClN/c1-2-3-8-13(9-14,10-16)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3.
What is the InChIKey of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The InChIKey is HBKJAXWFUVAFLD-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The canonical SMILES is CCCCC(CBr)(C#N)C1=CC=C(C=C1)Cl.
What is the XLogP3-AA value of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The XLogP3-AA value is 4.8.
How many hydrogen bond donor counts does 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane have?
It has 0 hydrogen bond donor counts.
What is the monoatomic mass of 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane?
The monoatomic mass is 299.00764 g/mol.
Is 1-Bromo-2-cyano-2-(4-chlorophenyl)hexane canonicalized?
Yes, the compound is canonicalized according to PubChem.
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