CAS
926921-61-1 Purity
96%
926921-61-1 Purity
96%
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Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate
CAS
926921-64-4
Catalog Number
ACM926921644
Category
Other Products
Molecular Weight
292.1616
Molecular Formula
C11H5F5N2O2
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Specification
Synonyms
Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 2-methylpyrazole-3-carboxylate
Canonical SMILES
CN1C(=CC=N1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI Key
LFLXSDHHZKOTLP-UHFFFAOYSA-N
Boiling Point
87/4.5mm
Melting Point
42.5-44ºC
Flash Point
200.5ºC
Density
1.57g/cm³
Exact Mass
292.02700
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate is C11H5F5N2O2.
When was Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate created and modified?
Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
The IUPAC name of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate is (2,3,4,5,6-pentafluorophenyl) 2-methylpyrazole-3-carboxylate.
What is the InChIKey of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
The InChIKey of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate is LFLXSDHHZKOTLP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate have?
Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate has 8 hydrogen bond acceptors.
What is the topological polar surface area of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
The topological polar surface area of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate is 44.1 Å^2.
How many rotatable bonds does Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate have?
Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate has 3 rotatable bonds.
What is the exact mass of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
The exact mass of Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate is 292.02711822 g/mol.
How many heavy atoms are present in Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate?
There are 20 heavy atoms in Pentafluorophenyl 1-methyl-1H-pyrazole-5-carboxylate.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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