Structure

2-Fluoroanisole

CAS
321-28-8
Catalog Number
ACM321288
Category
Ethers
Molecular Weight
126.13
Molecular Formula
C7H7FO

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Specification

Synonyms
2-Fluoro-1-methoxybenzene
IUPAC Name
1-fluoro-2-methoxybenzene
Canonical SMILES
COC1=CC=CC=C1F
InChI
InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key
JIXDOBAQOWOUPA-UHFFFAOYSA-N
Boiling Point
154-155 ºC (lit.)
Melting Point
-39 ºC
Flash Point
140°F
Density
1.124 g/ml
Hazard Statements
F,Xi
RIDADR
UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
Safety Description
16-36/37/39-27-26
Supplemental Hazard Statements
H226
Symbol
GHS02
What is the PubChem CID of 2-Fluoroanisole?

PubChem CID 67576.

What is the molecular formula of 2-Fluoroanisole?

The molecular formula is C7H7FO.

What is the molecular weight of 2-Fluoroanisole?

The molecular weight is 126.13 g/mol.

What is the IUPAC name of 2-Fluoroanisole?

The IUPAC name is 1-fluoro-2-methoxybenzene.

What is the InChI of 2-Fluoroanisole?

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

What is the InChIKey of 2-Fluoroanisole?

The InChIKey is JIXDOBAQOWOUPA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoroanisole?

The canonical SMILES is COC1=CC=CC=C1F.

What is the CAS number of 2-Fluoroanisole?

The CAS number is 321-28-8.

What is the XLogP3 value of 2-Fluoroanisole?

The XLogP3 value is 2.1.

Is 2-Fluoroanisole a canonicalized compound?

Yes, 2-Fluoroanisole is canonicalized.

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