CAS
93941-73-2 Purity
96%
93941-73-2 Purity
96%
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1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate
CAS
93941-81-2
Catalog Number
ACM93941812
Category
Other Products
Molecular Weight
305.196920 [g/mol]
Molecular Formula
C14H18Cl2O3
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Specification
Synonyms
1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate, 93941-81-2, AC1MIE2Y, CTK5H4104, EINECS 300-531-0, AG-H-85254, 4-methylpentan-2-yl 2-(2,4-dichlorophenoxy)acetate
IUPAC Name
4-methylpentan-2-yl 2-(2,4-dichlorophenoxy)acetate
SMILES
CC(C)CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI Key
ZBLQQEZPADHJIF-UHFFFAOYSA-N
Boiling Point
362.9ºC at 760mmHg
Flash Point
130.6ºC
Density
1.186g/cm³
EC Number
300-531-0
Exact Mass
304.06300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The molecular formula is C14H18Cl2O3.
When was 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate created and modified in PubChem?
It was created on August 8, 2005, and modified on December 30, 2023.
What is the IUPAC name of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name is 4-methylpentan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the InChI of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The InChI is InChI=1S/C14H18Cl2O3/c1-9(2)6-10(3)19-14(17)8-18-13-5-4-11(15)7-12(13)16/h4-5,7,9-10H,6,8H2,1-3H3.
What is the InChIKey of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is ZBLQQEZPADHJIF-UHFFFAOYSA-N.
What is the canonical SMILES of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES is CC(C)CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl.
What is the molecular weight of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The molecular weight is 305.2 g/mol.
How many hydrogen bond acceptor counts are there in 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
There are 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate?
The topological polar surface area is 35.5 Å^2.
Is 1,3-Dimethylbutyl 2-(2,4-dichlorophenoxy)acetate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
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