CAS
952182-33-1 Purity
96%
952182-33-1 Purity
96%
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6-Quinolinecarboxylicacid,2-(trifluoromethyl)-
CAS
952182-51-3
Catalog Number
ACM952182513
Category
Other Products
Molecular Weight
241.166050 [g/mol]
Molecular Formula
C11H6F3NO2
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Specification
Synonyms
2-(trifluoromethyl)quinoline-6-carboxylic acid
IUPAC Name
2-(trifluoromethyl)quinoline-6-carboxylic acid
Canonical SMILES
C1=CC2=C(C=CC(=N2)C(F)(F)F)C=C1C(=O)O
InChI Key
PDWMUXHPWPBHDJ-UHFFFAOYSA-N
Boiling Point
329.5ºC at 760 mmHg
Flash Point
153.1ºC
Density
1.481g/cm³
Exact Mass
241.03500
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 6-Quinolinecarboxylicacid,2-(trifluoromethyl)?
The molecular formula is C11H6F3NO2.
When was the compound created and last modified in PubChem?
The compound was created on 2010-03-29 and last modified on 2023-12-30.
What is the IUPAC name of 6-Quinolinecarboxylicacid,2-(trifluoromethyl)?
The IUPAC name is 2-(trifluoromethyl)quinoline-6-carboxylic acid.
What is the InChIKey of 6-Quinolinecarboxylicacid,2-(trifluoromethyl)?
The InChIKey is PDWMUXHPWPBHDJ-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 241.17 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of 6-Quinolinecarboxylicacid,2-(trifluoromethyl)?
The topological polar surface area is 50.2 Å2.
How many defined atom stereocenter counts does the compound have?
6-Quinolinecarboxylicacid,2-(trifluoromethyl) has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of 6-Quinolinecarboxylicacid,2-(trifluoromethyl)?
The XLogP3-AA value is 2.6.
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CAS
952182-47-7 Purity
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952182-47-7 Purity
96%
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