3-(4-Bromophenyl)-1,1,1-trifluoro-2-propanol

• CAS: 1148050-30-9
• Catalog Number: ACM1148050309
• Category: Bromine Series
• Molecular Weight: 269.06
• Molecular Formula: C9H8BrF3O
• Synonyms: 3-(4-BROMOPHENYL)-1,1,1-TRIFLUORO-2-PROPANOL, 1148050-30-9, PubChem19428, AKOS012260324, I01-10010
• IUPAC Name: 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
• Canonical SMILES: C1=CC(=CC=C1CC(C(F)(F)F)O)Br
• InChI Key: NUQKLBWHNGSIIU-UHFFFAOYSA-N
• Exact Mass: 267.97100
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H8BrF3O.

What is the synonym for the compound?

The synonym for the compound is 3-(4-Bromophenyl)-1,1,1-trifluoro-2-propanol.

What is the molecular weight of the compound?

The molecular weight of the compound is 269.06 g/mol.

When was the compound created?

The compound was created on February 9, 2009.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2.

What is the InChIKey of the compound?

The InChIKey of the compound is NUQKLBWHNGSIIU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC=C1CC(C(F)(F)F)O)Br.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

Is the compound canonicalized?

Yes, the compound is canonicalized.