CAS
94788-91-7 Purity
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94788-91-7 Purity
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Butan-2-yl 2-(2,4-dichlorophenoxy)acetate
CAS
94-79-1
Catalog Number
ACM94791
Category
Other Products
Molecular Weight
277.143760 [g/mol]
Molecular Formula
C12H14Cl2O3
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Specification
Synonyms
butan-2-yl 2-(2,4-dichlorophenoxy)acetate;(2,4-DICHLOROPHENOXY)ACETIC ACID, 1-METHYLPROPYL ESTER);2,4-D 1-Methylpropyl ester;Acetic acid, (2,4-dichlorophenoxy)-, 1-methylpropyl ester;Acetic acid, (2,4-dichlorophenoxy)-, sec-butyl ester
IUPAC Name
butan-2-yl 2-(2,4-dichlorophenoxy)acetate
Canonical SMILES
CCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI Key
PVVPYVMHXYPBQZ-UHFFFAOYSA-N
Boiling Point
338.2ºC at 760mmHg
Flash Point
128.9ºC
Density
1.238g/cm³
Exact Mass
276.03200
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
What is the molecular formula of butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular formula of butan-2-yl 2-(2,4-dichlorophenoxy)acetate is C12H14Cl2O3.
When was butan-2-yl 2-(2,4-dichlorophenoxy)acetate created in PubChem?
Butan-2-yl 2-(2,4-dichlorophenoxy)acetate was created in PubChem on 2005-08-08.
What is the molecular weight of butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular weight of butan-2-yl 2-(2,4-dichlorophenoxy)acetate is 277.14 g/mol.
What is the InChIKey of butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey of butan-2-yl 2-(2,4-dichlorophenoxy)acetate is PVVPYVMHXYPBQZ-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
There are 3 hydrogen bond acceptors in butan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the XLogP3 value of butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The XLogP3 value of butan-2-yl 2-(2,4-dichlorophenoxy)acetate is 4.5.
How many rotatable bond counts are in butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
There are 6 rotatable bond counts in butan-2-yl 2-(2,4-dichlorophenoxy)acetate.
What is the topological polar surface area of butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
The topological polar surface area of butan-2-yl 2-(2,4-dichlorophenoxy)acetate is 35.5 ㎡.
Is butan-2-yl 2-(2,4-dichlorophenoxy)acetate a covalently-bonded unit?
Yes, butan-2-yl 2-(2,4-dichlorophenoxy)acetate is a covalently-bonded unit.
How many defined atom stereocenters are in butan-2-yl 2-(2,4-dichlorophenoxy)acetate?
There are 0 defined atom stereocenters in butan-2-yl 2-(2,4-dichlorophenoxy)acetate.
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