CAS
97635-41-1 Purity
96%
97635-41-1 Purity
96%
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2-Methylbutyl(2,4,5-trichlorophenoxy)acetate
CAS
97635-44-4
Catalog Number
ACM97635444
Category
Other Products
Molecular Weight
325.615400 [g/mol]
Molecular Formula
C13H15Cl3O3
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Specification
Synonyms
EINECS 307-404-9, CID3024990, 2-Methylbutyl (2,4,5-trichlorophenoxy)acetate, 97635-44-4
IUPAC Name
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
Canonical SMILES
CCC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI Key
CEAIEBOCMZRRGC-UHFFFAOYSA-N
Boiling Point
380.4ºC at 760mmHg
Flash Point
140.8ºC
Density
1.291g/cm³
EC Number
307-404-9
Exact Mass
324.00900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The molecular formula of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is C13H15Cl3O3.
What is the molecular weight of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The molecular weight of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is 325.6 g/mol.
When was 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate created?
2-Methylbutyl(2,4,5-trichlorophenoxy)acetate was created on August 8, 2005.
What is the IUPAC name of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is 2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate.
What is the Canonical SMILES representation of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The Canonical SMILES representation of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is CCC(C)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl.
What is the InChIKey of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The InChIKey of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is CEAIEBOCMZRRGC-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate have?
2-Methylbutyl(2,4,5-trichlorophenoxy)acetate has 3 hydrogen bond acceptor counts.
What is the XLogP3 value of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The XLogP3 value of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is 5.3.
Is 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate a covalently-bonded unit?
Yes, 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is a covalently-bonded unit.
What is the topological polar surface area of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate?
The topological polar surface area of 2-Methylbutyl(2,4,5-trichlorophenoxy)acetate is 35.5 Å^2.
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