CAS
910037-07-9 Purity
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910037-07-9 Purity
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Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate
CAS
910037-11-5
Catalog Number
ACM910037115
Category
Other Products
Molecular Weight
368.2576
Molecular Formula
C17H9F5N2O2
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Specification
Synonyms
Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate
Canonical SMILES
CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
LGHVUZDAZTZCHC-UHFFFAOYSA-N
Boiling Point
520.9ºC at 760 mmHg
Melting Point
126-127ºC
Flash Point
268.8ºC
Density
1.45g/cm³
Exact Mass
368.05800
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The molecular formula is C17H9F5N2O2.
When was Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate created in PubChem?
It was created on 2008-02-29.
What is the IUPAC Name of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The IUPAC Name is (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate.
What is the InChIKey of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The InChIKey is LGHVUZDAZTZCHC-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
There are 8 hydrogen bond acceptors.
What is the topological polar surface area of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The topological polar surface area is 44.1 Å2.
How many rotatable bond counts are there in Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
There are 4 rotatable bonds.
Is Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate a canonicalized compound?
Yes, the compound is canonicalized.
What is the molecular weight of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The molecular weight is 368.26 g/mol.
What is the XLogP3-AA value of Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate?
The XLogP3-AA value is 3.8.
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910037-14-8 Purity
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910037-14-8 Purity
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