CAS
925239-03-8 Purity
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925239-03-8 Purity
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6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester
CAS
92525-74-1
Catalog Number
ACM92525741
Category
Other Products
Molecular Weight
307.73
Molecular Formula
C15H14ClNO4
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Specification
Synonyms
6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester, 92525-74-1, SureCN10665205, AGN-PC-00MB35, ZINC32099566, AB52323, 2,3-Quinolinedicarboxylic acid, 6-chloro-, diethyl ester
IUPAC Name
diethyl 6-chloroquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Cl)C(=O)OCC
InChI Key
ASFMPELSGBWGAT-UHFFFAOYSA-N
Boiling Point
399.1ºC at 760 mmHg
Flash Point
195.2ºC
Density
1.295g/cm³
Exact Mass
307.06100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester according to the reference?
The molecular formula is C15H14ClNO4.
When was the compound created and modified in the reference?
The compound was created on 2007-02-08 and modified on 2023-12-30.
What is the IUPAC name of 6-Chloroquinoline-2,3-dicarboxylic acid diethyl ester?
The IUPAC name is diethyl 6-chloroquinoline-2,3-dicarboxylate.
What is the InChI key of the compound?
The InChI key is ASFMPELSGBWGAT-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in the compound?
There are 5 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass is 307.0611356 g/mol.
How many rotatable bond counts are there in the compound?
There are 6 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 65.5 Ų.
How many covalently-bonded units are there in the compound?
There is 1 covalently-bonded unit in the compound.
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