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Structure

1-Benzyl-4-iodo-1H-pyrazole

CAS
50877-42-4
Catalog Number
ACM50877424
Category
Other

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What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-benzyl-4-iodopyrazole.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H9IN2.

What is the molecular weight of the compound?

The molecular weight of the compound is 284.10 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 50877-42-4.

What is the EC number of the compound?

The EC number of the compound is 624-739-9.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID80396514.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2.

What is the InChIKey of the compound?

The InChIKey of the compound is PVEYRBGIYMWFPB-UHFFFAOYSA-N.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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