CAS
948288-96-8 Purity
96%
948288-96-8 Purity
96%
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6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester
CAS
948289-14-3
Catalog Number
ACM948289143
Category
Other Products
Molecular Weight
294.14
Molecular Formula
C13H12BrNO2
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Specification
Synonyms
6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester;Ethyl 6-bromo-2-methylquinoline-3-carboxylate
IUPAC Name
ethyl 6-bromo-2-methylquinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)Br)C
InChI Key
WOWPFIGSWCNAHK-UHFFFAOYSA-N
Boiling Point
358.5ºC at 760 mmHg
Flash Point
170.6ºC
Density
1.444g/cm³
Exact Mass
293.00500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The molecular formula is C13H12BrNO2.
What is the molecular weight of 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The molecular weight is 294.14 g/mol.
What is the IUPAC name of 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The IUPAC name is ethyl 6-bromo-2-methylquinoline-3-carboxylate.
What is the InChI for 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The InChI is InChI=1S/C13H12BrNO2/c1-3-17-13(16)11-7-9-6-10(14)4-5-12(9)15-8(11)2/h4-7H,3H2,1-2H3.
What is the InChIKey for 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The InChIKey is WOWPFIGSWCNAHK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester?
The topological polar surface area is 39.2 Å2.
Is 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester a canonicalized compound?
Yes, it is a canonicalized compound.
When was 6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester first created and last modified in the database?
It was first created on 2007-11-13 and last modified on 2023-12-30.
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