1-Phenyl-3-(trifluoromethyl)-1H-pyrazole

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CAS
99498-65-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM99498654

Product Name

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole

Structure

Structure

CAS

99498-65-4

Category

Heterocyclic Organic Compound

Synonyms

1-phenyl-3-(trifluoromethyl)pyrazole, 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole, 99498-65-4, 1H-Pyrazole, 1-phenyl-3-(trifluoromethyl)-, AC1MCQZB, ACMC-20aag5, SureCN1094013, CTK3F1155, MolPort-001-773-266, ANW-64467, PC2792, SBB094611, ZINC02243133, AKOS009158655, AG-A-21140, AK103800, KB-219675

IUPAC Name

1-phenyl-3-(trifluoromethyl)pyrazole

Molecular Weight

212.17

Molecular Formula

C₁₀H₇F₃N₂

Canonical SMILES

C1=CC=C(C=C1)N2C=CC(=N2)C(F)(F)F

InChI Key

AKPVEJBNHMWPEC-UHFFFAOYSA-N

Exact Mass

212.05600

H-Bond Acceptor

4

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

The molecular formula is C10H7F3N2.

When was 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole first created?

It was first created on July 19, 2005.

What is the IUPAC name of 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

The IUPAC name is 1-phenyl-3-(trifluoromethyl)pyrazole.

How many hydrogen bond acceptors does 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole have?

It has 4 hydrogen bond acceptors.

What is the exact mass of 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

The exact mass is 212.05613272 g/mol.

What is the topological polar surface area of 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

The topological polar surface area is 17.8 Å².

How many heavy atoms are present in 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

There are 15 heavy atoms.

Does 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.

What is the XLogP3-AA value of 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole?

The XLogP3-AA value is 2.8.

Is 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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