CAS
68993-46-4 Purity
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68993-46-4 Purity
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4-Chloro-2-(trifluoromethyl)quinazoline
CAS
52353-35-2
Catalog Number
ACM52353352
Category
Other Products
Molecular Weight
232.59
Molecular Formula
C9H4ClF3N2
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Specification
Synonyms
ZINC01387522, CID1475435, 10L-019, 52353-35-2
IUPAC Name
4-chloro-2-(trifluoromethyl)quinazoline
Canonical SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)Cl
InChI Key
DLJSNOYNVQOJLU-UHFFFAOYSA-N
Boiling Point
171.2ºC at 760 mmHg
Melting Point
65-68ºC
Flash Point
57.3ºC
Density
1.496 g/cm³
Appearance
powder
Exact Mass
232.00200
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)quinazoline?
The molecular formula of 4-Chloro-2-(trifluoromethyl)quinazoline is C9H4ClF3N2.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)quinazoline?
The molecular weight of 4-Chloro-2-(trifluoromethyl)quinazoline is 232.59 g/mol.
What is the IUPAC name of 4-Chloro-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-Chloro-2-(trifluoromethyl)quinazoline is 4-chloro-2-(trifluoromethyl)quinazoline.
What is the InChIKey of 4-Chloro-2-(trifluoromethyl)quinazoline?
The InChIKey of 4-Chloro-2-(trifluoromethyl)quinazoline is DLJSNOYNVQOJLU-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 4-Chloro-2-(trifluoromethyl)quinazoline have?
4-Chloro-2-(trifluoromethyl)quinazoline has 5 hydrogen bond acceptors.
What is the XLogP3 value of 4-Chloro-2-(trifluoromethyl)quinazoline?
The XLogP3 value of 4-Chloro-2-(trifluoromethyl)quinazoline is 3.7.
What is the exact mass of 4-Chloro-2-(trifluoromethyl)quinazoline?
The exact mass of 4-Chloro-2-(trifluoromethyl)quinazoline is 232.0015103 g/mol.
How many rotatable bond counts does 4-Chloro-2-(trifluoromethyl)quinazoline have?
4-Chloro-2-(trifluoromethyl)quinazoline has 0 rotatable bond counts.
What is the topological polar surface area of 4-Chloro-2-(trifluoromethyl)quinazoline?
The topological polar surface area of 4-Chloro-2-(trifluoromethyl)quinazoline is 25.8 Å2.
Is 4-Chloro-2-(trifluoromethyl)quinazoline a canonicalized compound?
Yes, 4-Chloro-2-(trifluoromethyl)quinazoline is a canonicalized compound.
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