CAS
94159-14-5 Purity
96%
94159-14-5 Purity
96%
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Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate
CAS
94159-22-5
Catalog Number
ACM94159225
Category
Other Products
Molecular Weight
296.789140 [g/mol]
Molecular Formula
C16H21ClO3
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Specification
Synonyms
EINECS 303-199-5, CID3023834, Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate, 94159-22-5
IUPAC Name
cyclohexyl 2-(4-chloro-2-methylphenoxy)propanoate
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC2CCCCC2
InChI Key
HPBVHSNFPAZXRA-UHFFFAOYSA-N
Boiling Point
387.3ºC at 760 mmHg
Flash Point
141.6ºC
Density
1.15g/cm³
EC Number
303-199-5
Exact Mass
296.11800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula is C16H21ClO3.
When was Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate created in PubChem?
It was created on August 8, 2005.
What is the molecular weight of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight is 296.79 g/mol.
What is the IUPAC name of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The IUPAC name is cyclohexyl 2-(4-chloro-2-methylphenoxy)propanoate.
What is the Canonical SMILES representation of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The Canonical SMILES is CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC2CCCCC2.
What is the CAS number of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The CAS number is 94159-22-5.
How many hydrogen bond acceptors are there in Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
The topological polar surface area is 35.5 Ų.
How many rotatable bonds are present in Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate?
There are 5 rotatable bonds.
Is Cyclohexyl 2-(4-chloro-2-methylphenoxy)propionate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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