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3-(Difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylic acid

Catalog Number
ACMA00000583
Category
Alkenyl
Molecular Weight
176.12
Molecular Formula
C12H16ClN

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Specification

Hazard Statements
H319
RIDADR
UN 3082 9 / PGIII
Symbol
GHS07
What is the molecular formula of the compound with PubChem CID 18983017?

The molecular formula is C6H6F2N2O2.

What is the molecular weight of the compound?

The molecular weight is 176.12 g/mol.

What are some synonyms for the compound?

Some synonyms include 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID and 5-(difluoromethyl)-2-methylpyrazole-3-carboxylic acid.

What is the InChIKey of the compound?

The InChIKey is AAHYTWRSQZFZCM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 55.1Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many defined atom stereocenters does the compound have?

The compound has 0 defined atom stereocenters.

What is the XLogP3-AA of the compound?

The XLogP3-AA is 0.7.

What is the formal charge of the compound?

The formal charge of the compound is 0.

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