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1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate
CAS
94386-45-5
Catalog Number
ACM94386455
Category
Other Products
Molecular Weight
270.751860 [g/mol]
Molecular Formula
C14H19ClO3
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Specification
Synonyms
EINECS 305-268-5, CID216431, 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate, 94386-45-5
IUPAC Name
butan-2-yl 2-(4-chloro-2-methylphenoxy)propanoate
Canonical SMILES
CCC(C)OC(=O)C(C)OC1=C(C=C(C=C1)Cl)C
InChI Key
JNJWTHMHROHMGZ-UHFFFAOYSA-N
Boiling Point
337ºC at 760mmHg
Flash Point
121.6ºC
Density
1.105g/cm³
EC Number
305-268-5
Exact Mass
270.10200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular formula is C14H19ClO3.
When was 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate created?
It was created on August 9, 2005.
What is the IUPAC name of 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The IUPAC name is butan-2-yl 2-(4-chloro-2-methylphenoxy)propanoate.
What is the InChIKey for 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The InChIKey is JNJWTHMHROHMGZ-UHFFFAOYSA-N.
What is the Canonical SMILES for 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The Canonical SMILES is CCC(C)OC(=O)C(C)OC1=C(C=C(C=C1)Cl)C.
What is the molecular weight of 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The molecular weight is 270.75 g/mol.
How many hydrogen bond acceptors are there in 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
The topological polar surface area is 35.5 Ų.
Is 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
How many rotatable bond counts are there in 1-Methylpropyl 2-(4-chloro-2-methylphenoxy)propionate?
There are 6 rotatable bond counts.
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