CAS
915707-39-0 Purity
96%
915707-39-0 Purity
96%
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Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate
CAS
915707-42-5
Catalog Number
ACM915707425
Category
Other Products
Molecular Weight
368.2576
Molecular Formula
C17H9F5N2O2
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Specification
Synonyms
Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 4-(1-methylpyrazol-3-yl)benzoate
Canonical SMILES
CN1C=CC(=N1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
LGHZGIHYFYLEAC-UHFFFAOYSA-N
Melting Point
122.5ºC
Exact Mass
368.05800
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
Molecular formula: C17H9F5N2O2
What is the molecular weight of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
Molecular weight: 368.26 g/mol
When was Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate created in PubChem?
Created: 2008-02-29
What is the IUPAC name of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(1-methylpyrazol-3-yl)benzoate
What is the InChI of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
InChI: InChI=1S/C17H9F5N2O2/c1-24-7-6-10(23-24)8-2-4-9(5-3-8)17(25)26-16-14(21)12(19)11(18)13(20)15(16)22/h2-7H,1H3
How many hydrogen bond acceptors does Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate have?
Hydrogen bond acceptor count: 8
What is the topological polar surface area of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
Topological polar surface area: 44.1 Ų
Is Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate a canonicalized compound?
Compound Is Canonicalized: Yes
How many rotatable bonds does Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate have?
Rotatable bond count: 4
What is the InChIKey of Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate?
InChIKey: LGHZGIHYFYLEAC-UHFFFAOYSA-N
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915707-44-7 Purity
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915707-44-7 Purity
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