1-(5-Bromo-2-fluorophenyl)propan-1-ol

• CAS: 1197943-64-8
• Catalog Number: ACM1197943648
• Category: Bromine Series
• Molecular Weight: 233.077503 [g/mol]
• Molecular Formula: C9H10BrFO
• Synonyms: 1-(5-bromo-2-fluorophenyl)propan-1-ol, 1197943-64-8, PubChem20349, AGN-PC-0CNTQV, SureCN182595, AKOS013208796, RL00770, AK129382, KB-09266
• IUPAC Name: 1-(5-bromo-2-fluorophenyl)propan-1-ol
• Canonical SMILES: CCC(C1=C(C=CC(=C1)Br)F)O
• InChI Key: BBMSCWQKJDTWGK-UHFFFAOYSA-N
• Exact Mass: 231.99000
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound referred to as PubChem CID 58941556?

The molecular formula is C9H10BrFO.

What is the molecular weight of the compound?

The molecular weight is 233.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(5-bromo-2-fluorophenyl)propan-1-ol.

What is the InChI code of the compound?

The InChI code is InChI=1S/C9H10BrFO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5,9,12H,2H2,1H3.

What is the InChIKey of the compound?

The InChIKey is BBMSCWQKJDTWGK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CCC(C1=C(C=CC(=C1)Br)F)O.

What is the CAS number of the compound?

The CAS number is 1197943-64-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.8.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.