4-Iodophenetole

• Catalog Number: ACM699081
• Product Name: 4-Iodophenetole
• CAS: 699-08-1
• Category: Ethers
• Synonyms: 4-Ethoxy-4-iodobenzene~Ethyl 4-iodophenyl ether
• IUPAC Name: 1-ethoxy-4-iodobenzene
• Molecular Weight: 248.06
• Molecular Formula: C8H9IO
• Canonical SMILES: CCOC1=CC=C(C=C1)I
• InChI: InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
• InChI Key: VSIIHWOJPSSIDI-UHFFFAOYSA-N
• Boiling Point: 133-134 °C
• Melting Point: 25-28 °C
• Density: 1.6502 g/ml
• Appearance: White to Yellow to Orange powder to lump
• Complexity: 87.3
• Covalently-Bonded Unit Count: 1
• Exact Mass: 247.96981g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• MDL Number: MFCD00061124
• Monoisotopic Mass: 247.96981g/mol
• NSC Number: 3781
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS07
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of 4-Iodophenetole?

The molecular formula of 4-Iodophenetole is C8H9IO.

What is the molecular weight of 4-Iodophenetole?

The molecular weight of 4-Iodophenetole is 248.06 g/mol.

What is the IUPAC name of 4-Iodophenetole?

The IUPAC name of 4-Iodophenetole is 1-ethoxy-4-iodobenzene.

What is the InChI of 4-Iodophenetole?

The InChI of 4-Iodophenetole is InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.

What is the InChIKey of 4-Iodophenetole?

The InChIKey of 4-Iodophenetole is VSIIHWOJPSSIDI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Iodophenetole?

The canonical SMILES of 4-Iodophenetole is CCOC1=CC=C(C=C1)I.

What is the CAS number of 4-Iodophenetole?

The CAS number of 4-Iodophenetole is 699-08-1.

What is the XLogP3 value of 4-Iodophenetole?

The XLogP3 value of 4-Iodophenetole is 3.1.

How many hydrogen bond donor counts does 4-Iodophenetole have?

4-Iodophenetole has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Iodophenetole have?

4-Iodophenetole has 1 hydrogen bond acceptor count.