CAS
948289-14-3 Purity
96%
948289-14-3 Purity
96%
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6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester
CAS
948289-32-5
Catalog Number
ACM948289325
Category
Other Products
Molecular Weight
263.72
Molecular Formula
C14H14ClNO2
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Specification
Synonyms
ETHYL 6-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLATE, 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester, 948289-32-5, AGN-PC-01A9P0, ZINC32099554, AB52304
IUPAC Name
ethyl 6-chloro-2,8-dimethylquinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C(=CC(=CC2=C1)Cl)C)C
InChI Key
RHNLYNLLYLFJSZ-UHFFFAOYSA-N
Boiling Point
358.6ºC at 760 mmHg
Flash Point
170.7ºC
Density
1.222g/cm³
Exact Mass
263.07100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester?
The molecular formula is C14H14ClNO2.
When was 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester created in PubChem?
It was created on November 13, 2007.
What is the molecular weight of 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester?
The molecular weight is 263.72 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is ethyl 6-chloro-2,8-dimethylquinoline-3-carboxylate.
What is the InChIKey of 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester?
The InChIKey is RHNLYNLLYLFJSZ-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are present in the compound?
There are 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 39.2 Å2.
How many rotatable bond counts are present in the compound?
There are 3 rotatable bond counts.
Is 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid ethyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass and monoisotopic mass of the compound?
The exact mass and monoisotopic mass are 263.0713064 g/mol.
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