4-Iodo-1-isobutyl-1H-pyrazole

• CAS: 918487-09-9
• Catalog Number: ACM918487099
• Category: Other Products; Other
• Molecular Weight: 250.080110 [g/mol]
• Molecular Formula: C₇H₁₁IN₂
• Synonyms: 4-IODO-1-ISOBUTYL-1H-PYRAZOLE, 918487-09-9, ACMC-209rds, SureCN4612816, CTK5H0560, 4-iodo-1-(2-methylpropyl)pyrazole, ANW-39758, SBB074010, AKOS013751753, AG-H-77239, AK-94545, KB-242416
• IUPAC Name: 4-iodo-1-(2-methylpropyl)pyrazole
• Canonical SMILES: CC(C)CN1C=C(C=N1)I
• InChI Key: PTARWFPVOYNYPY-UHFFFAOYSA-N
• Exact Mass: 249.99700
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Reviews

June 16, 2023

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Used to study new materials
In the study, the liquid crystal material synthesized by 4-iodo-1-isobutyl-1H-pyrazole can achieve the ideal arrangement effect.

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H11IN2.

What is the molecular weight of the compound?

The molecular weight of the compound is 250.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-iodo-1-(2-methylpropyl)pyrazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)CN1C=C(C=N1)I.

What is the CAS number of the compound?

The CAS number of the compound is 918487-09-9.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.1.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.