CAS
944450-46-8 Purity
96%
944450-46-8 Purity
96%
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Pentafluorophenyl isoquinoline-4-carboxylate
CAS
944450-77-5
Catalog Number
ACM944450775
Category
Other Products
Molecular Weight
339.2164
Molecular Formula
C16H6F5NO2
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Specification
Synonyms
pentafluorophenyl isoquinoline-4-carboxylate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) isoquinoline-4-carboxylate
Canonical SMILES
C1=CC=C2C(=C1)C=NC=C2C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
DEILZUOGNADSGO-UHFFFAOYSA-N
Boiling Point
491.8ºC at 760 mmHg
Melting Point
107-108ºC
Flash Point
251.2ºC
Density
1.533g/cm³
Exact Mass
339.03200
H-Bond Acceptor
8
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl isoquinoline-4-carboxylate?
The molecular formula of Pentafluorophenyl isoquinoline-4-carboxylate is C16H6F5NO2.
When was Pentafluorophenyl isoquinoline-4-carboxylate created and last modified?
Pentafluorophenyl isoquinoline-4-carboxylate was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Pentafluorophenyl isoquinoline-4-carboxylate?
The IUPAC name of Pentafluorophenyl isoquinoline-4-carboxylate is (2,3,4,5,6-pentafluorophenyl) isoquinoline-4-carboxylate.
What is the InChIKey of Pentafluorophenyl isoquinoline-4-carboxylate?
The InChIKey of Pentafluorophenyl isoquinoline-4-carboxylate is DEILZUOGNADSGO-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Pentafluorophenyl isoquinoline-4-carboxylate have?
Pentafluorophenyl isoquinoline-4-carboxylate has 8 hydrogen bond acceptors.
What is the exact mass of Pentafluorophenyl isoquinoline-4-carboxylate?
The exact mass of Pentafluorophenyl isoquinoline-4-carboxylate is 339.03186924 g/mol.
Is Pentafluorophenyl isoquinoline-4-carboxylate canonicalized?
Yes, Pentafluorophenyl isoquinoline-4-carboxylate is canonicalized.
What is the topological polar surface area of Pentafluorophenyl isoquinoline-4-carboxylate?
The topological polar surface area of Pentafluorophenyl isoquinoline-4-carboxylate is 39.2?2.
How many heavy atoms does Pentafluorophenyl isoquinoline-4-carboxylate contain?
Pentafluorophenyl isoquinoline-4-carboxylate contains 24 heavy atoms.
What is the computed complexity of Pentafluorophenyl isoquinoline-4-carboxylate?
The computed complexity of Pentafluorophenyl isoquinoline-4-carboxylate is 452.
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944450-78-6 Purity
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944450-80-0 Purity
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944450-80-0 Purity
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