CAS
948294-07-3 Purity
96%
948294-07-3 Purity
96%
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5-Chloro-8-methylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948294-21-1
Catalog Number
ACM948294211
Category
Other Products
Molecular Weight
321.76
Molecular Formula
C16H16ClNO4
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Specification
Synonyms
5-Chloro-8-methylquinoline-2,3-dicarboxylic acid diethyl ester, 948294-21-1, AGN-PC-01A9O0, CTK8E5225, ZINC32099511, AB52241, diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2N=C1C(=O)OCC)C)Cl
InChI Key
QEKVMRPGZMRYHJ-UHFFFAOYSA-N
Boiling Point
416.5ºC at 760 mmHg
Flash Point
205.7ºC
Density
1.267g/cm³
Exact Mass
321.07700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C16H16ClNO4.
When was the compound created and last modified?
The compound was created on 2007-11-13 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is diethyl 5-chloro-8-methylquinoline-2,3-dicarboxylate.
What is the InChIKey of the compound?
The InChIKey of the compound is QEKVMRPGZMRYHJ-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 65.5 Ų.
How many heavy atoms are present in the compound?
There are 22 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the computed XLogP3-AA of the compound?
The computed XLogP3-AA of the compound is 4.
What is the exact mass of the compound?
The exact mass of the compound is 321.0767857 g/mol.
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