CAS
914947-26-5 Purity
98%
914947-26-5 Purity
98%
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4-(3,4-Dichlorophenoxy)butyric acid ethyl ester
CAS
91495-17-9
Catalog Number
ACM91495179
Category
Other Products
Molecular Weight
277.143760 [g/mol]
Molecular Formula
C12H14Cl2O3
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Specification
Synonyms
SureCN3093995, CTK3I0942, Butanoic acid, 4-(3,4-dichlorophenoxy)-, ethyl ester, 91495-17-9
IUPAC Name
ethyl 4-(3,4-dichlorophenoxy)butanoate
Canonical SMILES
CCOC(=O)CCCOC1=CC(=C(C=C1)Cl)Cl
InChI Key
OXDBJQHKIXUOBC-UHFFFAOYSA-N
Exact Mass
276.03200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 21812850?
The molecular formula is C12H14Cl2O3.
When was the compound first created?
The compound was first created on December 5, 2007.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 4-(3,4-dichlorophenoxy)butanoate.
What is the molecular weight of the compound?
The molecular weight is 277.14 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the XLogP3 value of the compound?
The XLogP3 value is 4.2.
How many rotatable bonds does the compound have?
The compound has 7 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 35.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is OXDBJQHKIXUOBC-UHFFFAOYSA-N.
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