CAS
92513-34-3 Purity
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92513-34-3 Purity
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6-Chloro-2-methylquinoline-3-carboxylic acid
CAS
92513-40-1
Catalog Number
ACM92513401
Category
Other Products
Molecular Weight
221.64
Molecular Formula
C11H8ClNO2
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Specification
Synonyms
6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID;AKOS BBV-001242
IUPAC Name
6-chloro-2-methylquinoline-3-carboxylic acid
Canonical SMILES
CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)O
InChI Key
BXNOWQXNZZNEJV-UHFFFAOYSA-N
Boiling Point
374.9ºC at 760 mmHg
Flash Point
180.5ºC
Density
1.406g/cm³
Exact Mass
221.02400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-chloro-2-methylquinoline-3-carboxylic acid?
The molecular formula is C11H8ClNO2.
When was 6-chloro-2-methylquinoline-3-carboxylic acid created in PubChem?
It was created on September 10, 2005.
What is the IUPAC name of 6-chloro-2-methylquinoline-3-carboxylic acid?
The IUPAC name is 6-chloro-2-methylquinoline-3-carboxylic acid.
What is the InChIKey for 6-chloro-2-methylquinoline-3-carboxylic acid?
The InChIKey is BXNOWQXNZZNEJV-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 6-chloro-2-methylquinoline-3-carboxylic acid have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 6-chloro-2-methylquinoline-3-carboxylic acid?
The topological polar surface area is 50.2 Å^2.
Is 6-chloro-2-methylquinoline-3-carboxylic acid a canonical compound?
Yes, it is a canonical compound.
What is the XLogP3-AA value for 6-chloro-2-methylquinoline-3-carboxylic acid?
The XLogP3-AA value is 2.7.
How many rotatable bond counts does 6-chloro-2-methylquinoline-3-carboxylic acid have?
It has 1 rotatable bond count.
What is the complexity value of 6-chloro-2-methylquinoline-3-carboxylic acid?
The complexity value is 259.
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