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1-[(4-Chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride
CAS
93893-67-5
Catalog Number
ACM93893675
Category
Other Products
Molecular Weight
282.2082
Molecular Formula
C15H17ClN.Cl
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Specification
Synonyms
EINECS 299-658-1, 1-((4-Chlorophenyl)methyl)-5-ethyl-2-methylpyridinium chloride, 93893-67-5
IUPAC Name
1-[(4-chlorophenyl)methyl]-5-ethyl-2-methylpyridin-1-ium chloride
Canonical SMILES
CCC1=C[N+](=C(C=C1)C)CC2=CC=C(C=C2)Cl.[Cl-]
InChI Key
HQJDXZLNKIXPQI-UHFFFAOYSA-M
Density
g/cm³
EC Number
299-658-1
Exact Mass
281.07400
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride?
The molecular formula is C15H17Cl2N.
When was this compound created and last modified?
This compound was created on July 11, 2007, and last modified on December 30, 2023.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride?
The molecular weight is 282.2 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is 1-[(4-chlorophenyl)methyl]-5-ethyl-2-methylpyridin-1-ium; chloride.
What is the InChIKey of 1-[(4-Chlorophenyl)methyl]-5-ethyl-2-methylpyridinium chloride?
The InChIKey is HQJDXZLNKIXPQI-UHFFFAOYSA-M.
How many hydrogen bond acceptor counts does this compound have?
It has 1 hydrogen bond acceptor count.
What is the exact mass of the compound?
The exact mass is 281.0738049 g/mol.
How many rotatable bond counts does it have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of this compound?
The topological polar surface area is 3.9?2.
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