CAS
94158-04-0 Purity
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94158-04-0 Purity
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Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate
CAS
94158-09-5
Catalog Number
ACM94158095
Category
Other Products
Molecular Weight
587.1039
Molecular Formula
C20H44N.C12H6Cl3O2
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Specification
Synonyms
EINECS 303-079-2, Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate, 94158-09-5
IUPAC Name
5-chloro-2-(2,4-dichlorophenoxy)phenolate; ethyl-hexadecyl-dimethylazanium
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC(=C(C=C1Cl)[O-])OC2=C(C=C(C=C2)Cl)Cl
InChI Key
FHTZEIBBQYAKQS-UHFFFAOYSA-M
Density
g/cm³
EC Number
303-079-2
Exact Mass
585.29100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
The molecular formula is C32H50Cl3NO2.
When was Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate created?
It was created on 2009-08-20.
How is the IUPAC name of Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate computed?
The IUPAC name is computed as 5-chloro-2-(2,4-dichlorophenoxy)phenolate;ethyl-hexadecyl-dimethylazanium.
What is the InChI for Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
The InChI is InChI=1S/C20H44N.C12H7Cl3O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h5-20H2,1-4H3;1-6,16H/q+1;/p-1.
What is the Canonical SMILES representation of Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
The Canonical SMILES is CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC(=C(C=C1Cl)[O-])OC2=C(C=C(C=C2)Cl)Cl.
What is the CAS number for Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
The CAS number is 94158-09-5.
How many hydrogen bond acceptors are present in Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
There are 2 hydrogen bond acceptors.
What is the exact mass of Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
The exact mass is 585.290713 g/mol.
How many rotatable bonds are in Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate?
There are 18 rotatable bonds.
Is Ethylhexadecyldimethylammonium 5-chloro-2-(2,4-dichlorophenoxy)phenolate a canonicalized compound?
Yes, it is a canonicalized compound.
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