CAS
93456-04-3 Purity
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93456-04-3 Purity
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Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate
CAS
934570-42-0
Catalog Number
ACM934570420
Category
Other Products
Molecular Weight
390.328
Molecular Formula
C16H11F5N2O2S
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Specification
Synonyms
Pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate
Canonical SMILES
C1CSCCN1C2=NC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
CXWZKWSFJLNFMF-UHFFFAOYSA-N
Boiling Point
553.7ºC at 760 mmHg
Melting Point
99ºC
Flash Point
288.7ºC
Density
1.507g/cm³
Exact Mass
390.04600
H-Bond Acceptor
10
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The molecular formula is C16H11F5N2O2S.
When was Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate created?
It was created on 2008-02-29.
What is the InChI of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The InChI is InChI=1S/C16H11F5N2O2S/c17-10-11(18)13(20)15(14(21)12(10)19)25-16(24)8-1-2-22-9(7-8)23-3-5-26-6-4-23/h1-2,7H,3-6H2.
What is the CAS number of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The CAS number is 934570-42-0.
What is the XLogP3-AA value of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The XLogP3-AA value is 3.6.
How many hydrogen bond acceptors does Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate have?
It has 10 hydrogen bond acceptors.
What is the exact mass of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The exact mass is 390.04613958 g/mol.
How many rotatable bond counts does Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate have?
It has 4 rotatable bond counts.
What is the complexity value of Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate?
The complexity value is 483.
Is Pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate considered as a canonicalized compound?
Yes, it is considered as a canonicalized compound.
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