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Structure

(S)-1-(4-fluorophenyl)-3-iodopropan-1-ol

CAS
926657-23-0
Catalog Number
ACM926657230
Category
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What is the molecular formula of the compound?

The molecular formula of the compound is C9H10FIO.

What are the synonyms of the compound?

The synonyms of the compound are (S)-1-(4-fluorophenyl)-3-iodopropan-1-ol, 926657-23-0, (1S)-1-(4-fluorophenyl)-3-iodopropan-1-ol, SCHEMBL13885577, and DTXSID60676806.

What is the molecular weight of the compound?

The molecular weight of the compound is 280.08 g/mol.

When was the compound created and modified?

The compound was created on September 1, 2010, and last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (1S)-1-(4-fluorophenyl)-3-iodopropan-1-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H10FIO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6H2/t9-/m0/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is UYQBOULHLSGQPI-VIFPVBQESA-N.

What are the canonical and isomeric SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1C(CCI)O)F.
The isomeric SMILES of the compound is C1=CC(=CC=C1[C@H](CCI)O)F.

What is the CAS number of the compound?

The CAS number of the compound is 926657-23-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.6.

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