Pentafluorophenyl 6-phenylnicotinate

CAS

934570-41-9

Catalog Number

ACM934570419

Category

Other Products

Molecular Weight

365.2536

Molecular Formula

C₁₈H₈F₅NO₂

MSDS COA Spec Sheet

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Specification

Synonyms

Pentafluorophenyl 6-phenylnicotinate, 934570-41-9, CTK5H2530, MolPort-000-142-654, AG-H-82033, CC21126, RP07062, Y4746, Pentafluorophenyl 2-phenylpyridine-5-carboxylate, pentafluorophenyl 6-phenylpyridine-3-carboxylate, A844597, [2,3,4,5,6-pentakis(fluoranyl)phenyl] 6-phenylpyridine-3-carboxylate, 6-phenyl-3-pyridinecarboxylic acid (2,3,4,5,6-pentafluorophenyl) ester

IUPAC Name

(2,3,4,5,6-pentafluorophenyl) 6-phenylpyridine-3-carboxylate

Canonical SMILES

C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

InChI Key

YUPUNKGUYBKZST-UHFFFAOYSA-N

Boiling Point

500.6ºC at 760mmHg

Melting Point

113ºC

Flash Point

256.6ºC

Density

1.447g/cm³

Exact Mass

365.04800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Pentafluorophenyl 6-phenylnicotinate?

The molecular formula of Pentafluorophenyl 6-phenylnicotinate is C18H8F5NO2.

When was Pentafluorophenyl 6-phenylnicotinate created and modified according to PubChem?

Pentafluorophenyl 6-phenylnicotinate was created on February 29, 2008, and modified on December 30, 2023.

What is the IUPAC name of Pentafluorophenyl 6-phenylnicotinate?

The IUPAC name of Pentafluorophenyl 6-phenylnicotinate is (2,3,4,5,6-pentafluorophenyl) 6-phenylpyridine-3-carboxylate.

What is the InChIKey of Pentafluorophenyl 6-phenylnicotinate?

The InChIKey of Pentafluorophenyl 6-phenylnicotinate is YUPUNKGUYBKZST-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does Pentafluorophenyl 6-phenylnicotinate have?

Pentafluorophenyl 6-phenylnicotinate has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of Pentafluorophenyl 6-phenylnicotinate?

The topological polar surface area of Pentafluorophenyl 6-phenylnicotinate is 39.2 Å².

What is the exact mass and monoisotopic mass of Pentafluorophenyl 6-phenylnicotinate?

The exact mass and monoisotopic mass of Pentafluorophenyl 6-phenylnicotinate is 365.04751931 g/mol.

How many rotatable bond counts does Pentafluorophenyl 6-phenylnicotinate have?

Pentafluorophenyl 6-phenylnicotinate has 4 rotatable bond counts.

Is Pentafluorophenyl 6-phenylnicotinate considered as a canonicalized compound?

Yes, Pentafluorophenyl 6-phenylnicotinate is considered as a canonicalized compound.

What is the complexity value of Pentafluorophenyl 6-phenylnicotinate?

The complexity value of Pentafluorophenyl 6-phenylnicotinate is 474.