Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate

CAS
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CAS
941717-00-6
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM941717006

Product Name

Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate

Structure

Structure

CAS

941717-00-6

Category

Heterocyclic Organic Compound

Synonyms

pentafluorophenyl 4-(3,5-dimethyl-1h-pyrazol-1-yl)benzoate

IUPAC Name

(2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate

Molecular Weight

382.2842

Molecular Formula

C₁₈H₁₁F₅N₂O₂

Canonical SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C

InChI Key

GQQALUKKLLEHOR-UHFFFAOYSA-N

Boiling Point

496.5ºC at 760 mmHg

Melting Point

85.5-86ºC

Flash Point

254.1ºC

Density

1.42g/cm³

Exact Mass

382.07400

H-Bond Acceptor

8

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The molecular formula is C18H11F5N2O2.

When was Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate 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 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The IUPAC Name is (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate.

What is the InChIKey of Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The InChIKey is GQQALUKKLLEHOR-UHFFFAOYSA-N.

What is the Canonical SMILES of Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The Canonical SMILES is CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C.

What is the molecular weight of Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The molecular weight is 382.3 g/mol.

How many hydrogen bond acceptors does Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate have?

It has 8 hydrogen bond acceptors.

What is the topological polar surface area of Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate?

The topological polar surface area is 44.1 Å^2.

How many rotatable bond counts does Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate have?

It has 4 rotatable bond counts.

Is Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate a canonicalized compound?

Yes, it is canonicalized.

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