CAS
93008-44-7 Purity
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93008-44-7 Purity
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Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate
CAS
930110-97-7
Catalog Number
ACM930110977
Category
Other Products
Molecular Weight
388.2854
Molecular Formula
C18H13F5O4
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Specification
Synonyms
930110-97-7, Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate, CTK5H2003, MolPort-000-143-617, AG-H-80536, CC52426, pentafluorophenyl 4-(oxan-4-yloxy)benzoate, A844421, I01-21564, [2,3,4,5,6-pentakis(fluoranyl)phenyl] 4-(oxan-4-yloxy)benzoate, 4-(4-oxanyloxy)benzoic acid (2,3,4,5,6-pentafluorophenyl) ester
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 4-(oxan-4-yloxy)benzoate
Canonical SMILES
C1COCCC1OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
BDWCEFHYQPZQRO-UHFFFAOYSA-N
Boiling Point
501.4ºC at 760 mmHg
Melting Point
111ºC
Flash Point
247.7ºC
Density
1.43g/cm³
Exact Mass
388.07300
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate?
The molecular formula is C18H13F5O4.
When was Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate created in PubChem?
It was created on 2008-02-29.
What is the molecular weight of Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate?
The molecular weight is 388.3 g/mol.
How many Hydrogen Bond Acceptor Count does Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate have?
It has 9 Hydrogen Bond Acceptor Count.
What is the Canonical SMILES of Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate?
The Canonical SMILES is C1COCCC1OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F.
What is the InChIKey of Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate?
The InChIKey is BDWCEFHYQPZQRO-UHFFFAOYSA-N.
How many Rotatable Bond Count does Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate have?
It has 5 Rotatable Bond Count.
What is the Exact Mass of Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate?
The Exact Mass is 388.07339970 g/mol.
Is Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate a Covalently-Bonded Unit?
Yes, it is a Covalently-Bonded Unit.
How many Heavy Atom Count does Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate have?
It has 27 Heavy Atom Count.
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