CAS
93843-20-0 Purity
96%
93843-20-0 Purity
96%
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Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate
CAS
93843-24-4
Catalog Number
ACM93843244
Category
Other Products
Molecular Weight
340.884760 [g/mol]
Molecular Formula
C19H29ClO3
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Specification
Synonyms
EINECS 299-103-3, Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate, 93843-24-4
IUPAC Name
6-methylheptyl 4-(4-chloro-2-methylphenoxy)butanoate
Canonical SMILES
CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCCCCCC(C)C
InChI Key
QDZXSTNBYDQIKQ-UHFFFAOYSA-N
EC Number
299-103-3
Exact Mass
340.18100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular formula is C19H29ClO3.
What is the molecular weight of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The molecular weight is 340.9 g/mol.
What is the IUPAC name of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The IUPAC name is 6-methylheptyl 4-(4-chloro-2-methylphenoxy)butanoate.
What is the InChI of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The InChI is InChI=1S/C19H29ClO3/c1-15(2)8-5-4-6-12-23-19(21)9-7-13-22-18-11-10-17(20)14-16(18)3/h10-11,14-15H,4-9,12-13H2,1-3H3.
What is the InChIKey of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The InChIKey is QDZXSTNBYDQIKQ-UHFFFAOYSA-N.
What is the Canonical SMILES of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The Canonical SMILES is CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCCCCCC(C)C.
What is the CAS number of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The CAS number is 93840-66-5.
How many hydrogen bond acceptors does Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate?
The topological polar surface area is 35.5 Ų.
Is Isooctyl 4-(4-chloro-2-methylphenoxy)butyrate a canonicalized compound?
Yes, it is a canonicalized compound.
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