1-Iodo-3,5-dimethylbenzene

• CAS: 22445-41-6
• Catalog Number: ACM22445416
• Category: Aryl
• Molecular Weight: 232.06g/mol
• Molecular Formula: C8H9I
• IUPAC Name: 1-iodo-3,5-dimethylbenzene
• Canonical SMILES: CC1=CC(=CC(=C1)I)C
• InChI: InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
• InChI Key: ZLMKEENUYIUKKC-UHFFFAOYSA-N
• Complexity: 80.6
• Covalently-Bonded Unit Count: 1
• Exact Mass: 231.9749g/mol
• Formal Charge: 0
• Hazard Statements: H225-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 231.9749g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Symbol: GHS02
• XLogP3: 3.7

Custom Q&A

What is the molecular formula of 1-Iodo-3,5-dimethylbenzene?

The molecular formula is C8H9I.

What is the molecular weight of 1-Iodo-3,5-dimethylbenzene?

The molecular weight is 232.06 g/mol.

What is the IUPAC name of 1-Iodo-3,5-dimethylbenzene?

The IUPAC name is 1-iodo-3,5-dimethylbenzene.

What is the InChI of 1-Iodo-3,5-dimethylbenzene?

The InChI is InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3.

What is the InChIKey of 1-Iodo-3,5-dimethylbenzene?

The InChIKey is ZLMKEENUYIUKKC-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Iodo-3,5-dimethylbenzene?

The canonical SMILES is CC1=CC(=CC(=C1)I)C.

What is the CAS number of 1-Iodo-3,5-dimethylbenzene?

The CAS number is 22445-41-6.

What is the European Community (EC) number of 1-Iodo-3,5-dimethylbenzene?

The European Community (EC) number is 629-121-2.

Is 1-Iodo-3,5-dimethylbenzene a canonicalized compound?

Yes, it is a canonicalized compound.