4-Iodobenzotrifluoride

• Catalog Number: ACM455130
• Product Name: 4-Iodobenzotrifluoride
• CAS: 455-13-0
• Category: Aryl
• IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene
• Molecular Weight: 272.01g/mol
• Molecular Formula: C7H4F3I
• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)I
• InChI: InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
• InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N
• Complexity: 124
• Covalently-Bonded Unit Count: 1
• EC Number: 207-234-4
• Exact Mass: 271.93098g/mol
• Formal Charge: 0
• Hazard Statements: H319
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 271.93098g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Symbol: GHS07
• XLogP3: 3.6

Custom Q&A

What is the molecular formula of 4-Iodobenzotrifluoride?

The molecular formula of 4-Iodobenzotrifluoride is C7H4F3I.

What is the molecular weight of 4-Iodobenzotrifluoride?

The molecular weight of 4-Iodobenzotrifluoride is 272.01 g/mol.

What is the IUPAC name of 4-Iodobenzotrifluoride?

The IUPAC name of 4-Iodobenzotrifluoride is 1-iodo-4-(trifluoromethyl)benzene.

What is the InChI of 4-Iodobenzotrifluoride?

The InChI of 4-Iodobenzotrifluoride is InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H.

What is the InChIKey of 4-Iodobenzotrifluoride?

The InChIKey of 4-Iodobenzotrifluoride is SKGRFPGOGCHDPC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Iodobenzotrifluoride?

The canonical SMILES of 4-Iodobenzotrifluoride is C1=CC(=CC=C1C(F)(F)F)I.

What is the CAS number of 4-Iodobenzotrifluoride?

The CAS number of 4-Iodobenzotrifluoride is 455-13-0.

What is the European Community (EC) number of 4-Iodobenzotrifluoride?

The European Community (EC) number of 4-Iodobenzotrifluoride is 207-234-4.

What is the UNII of 4-Iodobenzotrifluoride?

The UNII of 4-Iodobenzotrifluoride is QM9YCH292P.

Does 4-Iodobenzotrifluoride have a defined bond stereocenter count?

No, 4-Iodobenzotrifluoride does not have a defined bond stereocenter count.