CAS
93507-53-0 Purity
96%
93507-53-0 Purity
96%
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5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester
CAS
93514-82-0
Catalog Number
ACM93514820
Category
Other Products
Molecular Weight
286.11
Molecular Formula
C12H9Cl2NO3
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Specification
Synonyms
Bionet2_000261, Oprea1_049655, MolPort-000-677-175, MolPort-001-767-961, HMS1364L19, CID735349, ZINC00151604, ZINC08648554, 6J-053, 3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, ethyl ester, 93514-82-0
IUPAC Name
ethyl 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=CNC2=CC(=CC(=C2C1=O)Cl)Cl
InChI Key
ZGUZVDPXYSBFGE-UHFFFAOYSA-N
Boiling Point
410.5ºC at 760 mmHg
Flash Point
202ºC
Density
1.444g/cm³
EC Number
618-954-7
Exact Mass
284.99600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The molecular formula is C12H9Cl2NO3.
What are some synonyms for 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
Some synonyms include ethyl 5,7-dichloro-4-hydroxyquinoline-3-carboxylate and ethyl 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylate.
When was the compound created and last modified?
It was created on July 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The IUPAC name is ethyl 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylate.
What is the InChIKey of the compound?
The InChIKey is ZGUZVDPXYSBFGE-UHFFFAOYSA-N.
What is the molecular weight of 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester?
The molecular weight is 286.11 g/mol.
How many hydrogen bond donor counts does the compound have?
It has one hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 55.4 Ų.
Does the compound have any defined atom stereocenter counts?
No, the compound has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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