CAS
93941-76-5 Purity
96%
93941-76-5 Purity
96%
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1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate
CAS
93941-82-3
Catalog Number
ACM93941823
Category
Other Products
Molecular Weight
339.641980 [g/mol]
Molecular Formula
C14H17Cl3O3
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Specification
Synonyms
EINECS 300-532-6, CID3023002, 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate, 93941-82-3
IUPAC Name
4-methylpentan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Canonical SMILES
CC(C)CC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
InChI Key
HIBAPSKFJRQZJG-UHFFFAOYSA-N
Boiling Point
389.2ºC at 760 mmHg
Flash Point
139.6ºC
Density
1.262g/cm³
EC Number
300-532-6
Exact Mass
338.02400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The molecular formula is C14H17Cl3O3.
When was the structure of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate created and modified?
The structure was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC name of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name is 4-methylpentan-2-yl 2-(2,4,5-trichlorophenoxy)acetate.
What is the Canonical SMILES representation of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The Canonical SMILES representation is CC(C)CC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl.
How many hydrogen bond donor counts does 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The topological polar surface area is 35.5 Ө2.
How many rotatable bond counts does 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate have?
It has 7 rotatable bond counts.
Is 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate?
The exact mass is 338.024327 g/mol.
How many defined atom stereocenter counts does 1,3-Dimethylbutyl 2-(2,4,5-trichlorophenoxy)acetate have?
It has 0 defined atom stereocenter counts.
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