CAS
941717-00-6 Purity
96%
941717-00-6 Purity
96%
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Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate
CAS
941717-05-1
Catalog Number
ACM941717051
Category
Other Products
Molecular Weight
375.2502
Molecular Formula
C15H10F5N3O3
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Specification
Synonyms
pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylpyrimidine-5-carboxylate
Canonical SMILES
C1COCCN1C2=NC=C(C=N2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI Key
SXCSIAUTNMKWKC-UHFFFAOYSA-N
Boiling Point
547.2ºC at 760 mmHg
Flash Point
284.8ºC
Density
1.54g/cm³
Exact Mass
375.06400
H-Bond Acceptor
11
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The molecular formula is C15H10F5N3O3.
When was Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name is (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the InChI of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChI is InChI=1S/C15H10F5N3O3/c16-8-9(17)11(19)13(12(20)10(8)18)26-14(24)7-5-21-15(22-6-7)23-1-3-25-4-2-23/h5-6H,1-4H2.
What is the Canonical SMILES of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The Canonical SMILES is C1COCCN1C2=NC=C(C=N2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F.
What is the molecular weight of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The molecular weight is 375.25 g/mol.
How many hydrogen bond acceptor counts are there in Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
There are 11 hydrogen bond acceptor counts.
What is the topological polar surface area of Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate?
The topological polar surface area is 64.6 Å2.
Does Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
Is Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
941717-08-4 Purity
96%
941717-08-4 Purity
96%
