CAS
948290-65-1 Purity
96%
948290-65-1 Purity
96%
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7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester
CAS
948290-76-4
Catalog Number
ACM948290764
Category
Other Products
Molecular Weight
233.24
Molecular Formula
C13H12FNO2
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Specification
Synonyms
7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester, 948290-76-4, ETHYL 7-FLUORO-2-METHYLQUINOLINE-3-CARBOXYLATE, AGN-PC-01A9Q8, CTK8E5526, ZINC32099630, AB52409, KB-249817
IUPAC Name
ethyl 7-fluoro-2-methylquinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)F)C
InChI Key
WZHYAYYENAGSMB-UHFFFAOYSA-N
Boiling Point
312.3ºC at 760 mmHg
Flash Point
142.7ºC
Density
1.216g/cm³
Exact Mass
233.08500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
The molecular formula is C13H12FNO2.
When was 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester created and last modified in the PubChem database?
It was created on November 13, 2007, and last modified on December 30, 2023.
What is the InChIKey for 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
The InChIKey is WZHYAYYENAGSMB-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester have?
It has 4 hydrogen bond acceptors.
What is the XLogP3-AA value for 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
The XLogP3-AA value is 2.9.
How many rotatable bond counts are there in the structure of 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
There are 3 rotatable bond counts.
What is the exact mass of 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
The exact mass is 233.08520679 g/mol.
What is the topological polar surface area of 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
The topological polar surface area is 39.2 Ų.
How many heavy atoms are present in the compound of 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester?
There are 17 heavy atoms.
Is 7-Fluoro-2-methylquinoline-3-carboxylic acid ethyl ester a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
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