CAS
910036-93-0 Purity
96%
910036-93-0 Purity
96%
![Pyridine,2-[(tetrahydro-2H-pyran-4-yl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-](https://resource.alfa-chemistry.com/structure/910036-98-5.gif)
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Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate
CAS
910036-96-3
Catalog Number
ACM910036963
Category
Other Products
Molecular Weight
389.2735
Molecular Formula
C17H12F5NO4
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Specification
Synonyms
pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 6-(oxan-4-yloxy)pyridine-3-carboxylate
Canonical SMILES
C1COCCC1OC2=NC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
DOADFHHFWSVLLM-UHFFFAOYSA-N
Boiling Point
514ºC at 760 mmHg
Melting Point
114.5-118ºC
Flash Point
264.7ºC
Density
1.47g/cm³
Exact Mass
389.06900
H-Bond Acceptor
10
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The molecular formula of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate is C17H12F5NO4.
What is the molecular weight of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The molecular weight of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate is 389.27 g/mol.
What is the IUPAC name of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The IUPAC name is (2,3,4,5,6-pentafluorophenyl) 6-(oxan-4-yloxy)pyridine-3-carboxylate.
What is the InChI key of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The InChI key is DOADFHHFWSVLLM-UHFFFAOYSA-N.
What is the canonical SMILES of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The canonical SMILES is C1COCCC1OC2=NC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F.
How many hydrogen bond acceptors does Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate have?
It has 10 hydrogen bond acceptors.
What is the topological polar surface area of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The topological polar surface area is 57.6?2.
How many rotatable bond counts does Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate have?
It has 5 rotatable bond counts.
Is Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate?
The exact mass is 389.06864867 g/mol.
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CAS
910036-99-6 Purity
96%
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96%
