CAS
948550-74-1 Purity
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948550-74-1 Purity
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5-Isocyanato-2-trifluoromethyl-pyridine
CAS
948551-74-4
Catalog Number
ACM948551744
Category
Other Products
Molecular Weight
188.1067296
Molecular Formula
C7H3F3N2O
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Specification
Synonyms
5-ISOCYANATO-2-TRIFLUOROMETHYL-PYRIDINE;PYRIDINE, 5-ISOCYANATO-2-(TRIFLUOROMETHYL)-
IUPAC Name
5-isocyanato-2-(trifluoromethyl)pyridine
Canonical SMILES
C1=CC(=NC=C1N=C=O)C(F)(F)F
InChI Key
PXRYPNYSTNPZAH-UHFFFAOYSA-N
Exact Mass
188.02000
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 5-Isocyanato-2-trifluoromethyl-pyridine?
The molecular formula is C7H3F3N2O.
When was 5-Isocyanato-2-trifluoromethyl-pyridine created?
It was created on December 5, 2007.
What is the IUPAC Name of 5-Isocyanato-2-trifluoromethyl-pyridine?
The IUPAC Name is 5-isocyanato-2-(trifluoromethyl)pyridine.
What is the molecular weight of 5-Isocyanato-2-trifluoromethyl-pyridine?
The molecular weight is 188.11 g/mol.
How many hydrogen bond donor counts does 5-Isocyanato-2-trifluoromethyl-pyridine have?
It has 0 hydrogen bond donor counts.
What is the exact mass of 5-Isocyanato-2-trifluoromethyl-pyridine?
The exact mass is 188.01974721 g/mol.
How many hydrogen bond acceptor counts does 5-Isocyanato-2-trifluoromethyl-pyridine have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of 5-Isocyanato-2-trifluoromethyl-pyridine?
The topological polar surface area is 42.3 Å^2.
How many rotatable bond counts does 5-Isocyanato-2-trifluoromethyl-pyridine have?
It has 1 rotatable bond count.
Is 5-Isocyanato-2-trifluoromethyl-pyridine considered to be a canonicalized compound?
Yes, it is considered a canonicalized compound.
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