3-Fluoroanisole

• CAS: 456-49-5
• Catalog Number: ACM456495
• Category: Ethers
• Molecular Weight: 126.13
• Molecular Formula: C7H7FO
• Synonyms: Benzene, 1-Fluoro-3-Methoxy-
• IUPAC Name: 1-fluoro-3-methoxybenzene
• Canonical SMILES: COC1=CC(=CC=C1)F
• InChI: InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
• InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N
• Boiling Point: 158 ºC 743mmHg
• Melting Point: -35 ºC
• Flash Point: 43ºC
• Density: 1.104 g/ml
• Appearance: Colorless or slightly yellow transparent liquid
• EC Number: 207-267-4
• Exact Mass: 126.04800
• Hazard Statements: H318
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: S16
• Stability: Stable under normal temperatures and pressures.
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Fluoroanisole?

The molecular formula of 3-Fluoroanisole is C7H7FO.

What is the molecular weight of 3-Fluoroanisole?

The molecular weight of 3-Fluoroanisole is 126.13 g/mol.

What is the IUPAC name of 3-Fluoroanisole?

The IUPAC name of 3-Fluoroanisole is 1-fluoro-3-methoxybenzene.

What is the InChI of 3-Fluoroanisole?

The InChI of 3-Fluoroanisole is InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3.

What is the InChIKey of 3-Fluoroanisole?

The InChIKey of 3-Fluoroanisole is MFJNOXOAIFNSBX-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoroanisole?

The canonical SMILES of 3-Fluoroanisole is COC1=CC(=CC=C1)F.

What is the CAS number of 3-Fluoroanisole?

The CAS number of 3-Fluoroanisole is 456-49-5.

How many hydrogen bond donor counts does 3-Fluoroanisole have?

3-Fluoroanisole has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Fluoroanisole have?

3-Fluoroanisole has 2 hydrogen bond acceptor counts.