CAS
927800-47-3 Purity
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927800-47-3 Purity
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4-Chloro-2-methyl-8-(trifluoromethoxy)quinoline
CAS
927800-56-4
Catalog Number
ACM927800564
Category
Other Products
Molecular Weight
261.63
Molecular Formula
C11H7ClF3NO
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Specification
Synonyms
4-CHLORO-2-METHYL-8-TRIFLUOROMETHOXYQUINOLINE;4-CHLORO-8-TRIFLUOROMETHOXYQUINALDINE
IUPAC Name
4-chloro-2-methyl-8-(trifluoromethoxy)quinoline
Canonical SMILES
CC1=NC2=C(C=CC=C2OC(F)(F)F)C(=C1)Cl
InChI Key
QQAQYFCPCZWTAO-UHFFFAOYSA-N
Boiling Point
272.1ºC at 760 mmHg
Flash Point
118.4ºC
Density
1.411g/cm³
Exact Mass
261.01700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound 4-Chloro-2-methyl-8-(trifluoromethoxy)quinoline?
The molecular formula is C11H7ClF3NO.
When was the compound created and last modified?
The compound was created on November 16, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 4-chloro-2-methyl-8-(trifluoromethoxy)quinoline.
What is the molecular weight of the compound?
The molecular weight is 261.63 g/mol.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CC1=CC(=C2C=CC=C(C2=N1)OC(F)(F)F)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.4.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 22.1 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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