CAS
94042-91-8 Purity
96%
94042-91-8 Purity
96%
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Octyl 2-(2,4,5-trichlorophenoxy)propionate
CAS
94043-00-2
Catalog Number
ACM94043002
Category
Other Products
Molecular Weight
381.721720 [g/mol]
Molecular Formula
C17H23Cl3O3
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Specification
Synonyms
EINECS 301-768-2, CID3023382, Octyl 2-(2,4,5-trichlorophenoxy)propionate, 94043-00-2
IUPAC Name
octyl 2-(2,4,5-trichlorophenoxy)propanoate
SMILES
CCCCCCCCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI Key
OFXFXKNVHYPBEB-UHFFFAOYSA-N
Boiling Point
435.1ºC at 760mmHg
Flash Point
145.9ºC
Density
1.199g/cm³
EC Number
301-768-2
Exact Mass
380.07100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular formula of Octyl 2-(2,4,5-trichlorophenoxy)propionate is C17H23Cl3O3.
What is the molecular weight of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular weight of Octyl 2-(2,4,5-trichlorophenoxy)propionate is 381.7 g/mol.
What is the IUPAC name of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The IUPAC name of Octyl 2-(2,4,5-trichlorophenoxy)propionate is octyl 2-(2,4,5-trichlorophenoxy)propanoate.
What is the InChI of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The InChI of Octyl 2-(2,4,5-trichlorophenoxy)propionate is InChI=1S/C17H23Cl3O3/c1-3-4-5-6-7-8-9-22-17(21)12(2)23-16-11-14(19)13(18)10-15(16)20/h10-12H,3-9H2,1-2H3.
What is the InChIKey of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The InChIKey of Octyl 2-(2,4,5-trichlorophenoxy)propionate is OFXFXKNVHYPBEB-UHFFFAOYSA-N.
How many hydrogen bond acceptor count does Octyl 2-(2,4,5-trichlorophenoxy)propionate have?
Octyl 2-(2,4,5-trichlorophenoxy)propionate has 3 hydrogen bond acceptor count.
What is the topological polar surface area of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The topological polar surface area of Octyl 2-(2,4,5-trichlorophenoxy)propionate is 35.5 Ų.
How many rotatable bond count does Octyl 2-(2,4,5-trichlorophenoxy)propionate have?
Octyl 2-(2,4,5-trichlorophenoxy)propionate has 11 rotatable bond count.
What is the XLogP3 value of Octyl 2-(2,4,5-trichlorophenoxy)propionate?
The XLogP3 value of Octyl 2-(2,4,5-trichlorophenoxy)propionate is 7.5.
Is Octyl 2-(2,4,5-trichlorophenoxy)propionate considered a canonicalized compound?
Yes, Octyl 2-(2,4,5-trichlorophenoxy)propionate is considered a canonicalized compound.
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