CAS
948289-08-5 Purity
96%
948289-08-5 Purity
96%
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6-Chloro-2,8-dimethylquinoline-3-carboxylic acid
CAS
948289-26-7
Catalog Number
ACM948289267
Category
Other Products
Molecular Weight
235.67
Molecular Formula
C12H10ClNO2
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Specification
Synonyms
6-Chloro-2,8-dimethylquinoline-3-carboxylic acid, 948289-26-7, AGN-PC-01A9OZ, CTK8E5379, AB52301
IUPAC Name
6-chloro-2,8-dimethylquinoline-3-carboxylic acid
Canonical SMILES
CC1=CC(=CC2=CC(=C(N=C12)C)C(=O)O)Cl
InChI Key
IYKDDOVXIZQELN-UHFFFAOYSA-N
Boiling Point
389.6ºC at 760 mmHg
Flash Point
189.4ºC
Density
1.355g/cm³
Exact Mass
235.04000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-Chloro-2,8-dimethylquinoline-3-carboxylic acid?
The molecular formula is C12H10ClNO2.
When was this compound created and last modified in the database?
It was created on 2007-11-13 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 6-chloro-2,8-dimethylquinoline-3-carboxylic acid.
What is the InChI of this compound?
The InChI is InChI=1S/C12H10ClNO2/c1-6-3-9(13)4-8-5-10(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16).
What is the InChIKey of this compound?
The InChIKey is IYKDDOVXIZQELN-UHFFFAOYSA-N.
What is the canonical SMILES representation of this compound?
The canonical SMILES representation is CC1=CC(=CC2=CC(=C(N=C12)C)C(=O)O)Cl.
How many hydrogen bond donor counts does this compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of this compound?
The topological polar surface area is 50.2 Ų.
What is the heavy atom count of this compound?
The heavy atom count is 16.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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