CAS
92190-42-6 Purity
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92190-42-6 Purity
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Pentafluorophenyl pyrimidine-5-carboxylate
CAS
921938-48-9
Catalog Number
ACM921938489
Category
Other Products
Molecular Weight
290.1457
Molecular Formula
C11H3F5N2O2
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Specification
Synonyms
pentafluorophenyl pyrimidine-5-carboxylate
IUPAC Name
(2,3,4,5,6-pentafluorophenyl) pyrimidine-5-carboxylate
Canonical SMILES
C1=C(C=NC=N1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI Key
TZPLYNSLIVPKAH-UHFFFAOYSA-N
Boiling Point
504.3ºC at 760 mmHg
Melting Point
121ºC
Flash Point
258.8ºC
Density
1.479g/cm³
Exact Mass
290.01100
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of Pentafluorophenyl pyrimidine-5-carboxylate?
The molecular formula of Pentafluorophenyl pyrimidine-5-carboxylate is C11H3F5N2O2.
When was Pentafluorophenyl pyrimidine-5-carboxylate created in PubChem?
Pentafluorophenyl pyrimidine-5-carboxylate was created in PubChem on 2008-02-29.
What is the IUPAC Name of Pentafluorophenyl pyrimidine-5-carboxylate?
The IUPAC Name of Pentafluorophenyl pyrimidine-5-carboxylate is (2,3,4,5,6-pentafluorophenyl) pyrimidine-5-carboxylate.
What is the InChIKey of Pentafluorophenyl pyrimidine-5-carboxylate?
The InChIKey of Pentafluorophenyl pyrimidine-5-carboxylate is TZPLYNSLIVPKAH-UHFFFAOYSA-N.
What is the molecular weight of Pentafluorophenyl pyrimidine-5-carboxylate?
The molecular weight of Pentafluorophenyl pyrimidine-5-carboxylate is 290.15 g/mol.
How many hydrogen bond acceptor counts does Pentafluorophenyl pyrimidine-5-carboxylate have?
Pentafluorophenyl pyrimidine-5-carboxylate has 9 hydrogen bond acceptor counts.
What is the exact mass of Pentafluorophenyl pyrimidine-5-carboxylate?
The exact mass of Pentafluorophenyl pyrimidine-5-carboxylate is 290.01146815 g/mol.
How many rotatable bond counts does Pentafluorophenyl pyrimidine-5-carboxylate have?
Pentafluorophenyl pyrimidine-5-carboxylate has 3 rotatable bond counts.
Is Pentafluorophenyl pyrimidine-5-carboxylate canonicalized in PubChem?
Yes, Pentafluorophenyl pyrimidine-5-carboxylate is canonicalized in PubChem.
What is the topological polar surface area of Pentafluorophenyl pyrimidine-5-carboxylate?
The topological polar surface area of Pentafluorophenyl pyrimidine-5-carboxylate is 52.1 Å2.
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