CAS
93857-64-8 Purity
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93857-64-8 Purity
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Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate
CAS
93857-69-3
Catalog Number
ACM93857693
Category
Other Products
Molecular Weight
607.629760 [g/mol]
Molecular Formula
C28H44Cl2N2O6S
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Specification
Synonyms
EINECS 299-205-8, CID3022673, Ethyl 2-((2,4-dichloro-6-sulphophenyl)azo)-3-oxoicosanoate, 93857-69-3
IUPAC Name
3,5-dichloro-2-[(1-ethoxy-1,3-dioxoicosan-2-yl)diazenyl]benzenesulfonic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)C(C(=O)OCC)N=NC1=C(C=C(C=C1S(=O)(=O)O)Cl)Cl
InChI Key
GQDIVMMZRYJYGZ-UHFFFAOYSA-N
Density
1.21g/cm³
EC Number
299-205-8
Exact Mass
606.23000
H-Bond Acceptor
8
H-Bond Donor
1
What is the molecular formula of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The molecular formula is C28H44Cl2N2O6S.
When was this compound created and modified?
It was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The IUPAC name is 3,5-dichloro-2-[(1-ethoxy-1,3-dioxoicosan-2-yl)diazenyl]benzenesulfonic acid.
What is the molecular weight of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The molecular weight is 607.6 g/mol.
What is the InChIKey of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The InChIKey is GQDIVMMZRYJYGZ-UHFFFAOYSA-N.
How many hydrogen bond donor count does this compound have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The XLogP3-AA value is 10.8.
What is the topological polar surface area of Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate?
The topological polar surface area is 131 Ų.
How many rotatable bond count does this compound have?
It has 23 rotatable bond count.
Is Ethyl 2-[(2,4-dichloro-6-sulfophenyl)azo]-3-oxoicosanoate Canonicalized?
Yes, the compound is canonicalized.
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