CAS
948293-72-9 Purity
96%
948293-72-9 Purity
96%
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5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948293-80-9
Catalog Number
ACM948293809
Category
Other Products
Molecular Weight
342.17
Molecular Formula
C15H13Cl2NO4
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Specification
Synonyms
5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester, 948293-80-9, AGN-PC-01A9NE, CTK8E5118, ZINC32099479, AB52185, diethyl 5,7-dichloroquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 5,7-dichloroquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=C(C=C(C2=C1)Cl)Cl)C(=O)OCC
InChI Key
CECRYKISFOHKKT-UHFFFAOYSA-N
Boiling Point
426ºC at 760 mmHg
Flash Point
211.5ºC
Density
1.371g/cm³
Exact Mass
341.02200
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C15H13Cl2NO4.
What are some synonyms for 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
Some synonyms include diethyl 5,7-dichloroquinoline-2,3-dicarboxylate and AB52185.
When was 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester created and modified in PubChem?
It was created on 2007-11-13 and modified on 2023-12-30.
What is the InChIKey of 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
The InChIKey is CECRYKISFOHKKT-UHFFFAOYSA-N.
What is the Canonical SMILES for 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
The Canonical SMILES is CCOC(=O)C1=C(N=C2C=C(C=C(C2=C1)Cl)Cl)C(=O)OCC.
What is the topological polar surface area of 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
The topological polar surface area is 65.5 Å2.
How many rotatable bonds are there in 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
There are 6 rotatable bonds.
What is the XLogP3-AA value for 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
The XLogP3-AA value is 4.2.
How many hydrogen bond acceptor counts are there in 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester?
There are 5 hydrogen bond acceptors.
Is 5,7-Dichloroquinoline-2,3-dicarboxylic acid diethyl ester a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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