4-Fluoro-3-(trifluoromethoxy)phenylboronic acid

• Catalog Number: ACM881402217
• Product Name: 4-Fluoro-3-(trifluoromethoxy)phenylboronic acid
• CAS: 881402-21-7
• Category: Boric Acids
• IUPAC Name: (4-Fluoro-3-(trifluoromethoxy)phenyl)boronic acid
• Molecular Weight: 223.92
• Molecular Formula: C7H5BF4O3
• Canonical SMILES: B(C1=CC(=C(C=C1)F)OC(F)(F)F)(O)O
• InChI: InChI=1S/C7H5BF4O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H
• InChI Key: UXYBDIZUDOJXRE-UHFFFAOYSA-N
• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 224.0267868
• Heavy Atom Count: 15
• Monoisotopic Mass: 224.0267868
• Physical State: Solid
• Topological Polar Surface Area: 49.7 Ų

Custom Q&A

What is the molecular formula of 2-Phenylethanethiol?

The molecular formula of 2-Phenylethanethiol is C8H10S.

What is the molecular weight of 2-Phenylethanethiol?

The molecular weight of 2-Phenylethanethiol is 138.23 g/mol.

What are some synonyms of 2-Phenylethanethiol?

Some synonyms of 2-Phenylethanethiol are Phenethyl mercaptan, Benzeneethanethiol, and 2-Phenylethyl mercaptan.

When was 2-Phenylethanethiol created and modified?

2-Phenylethanethiol was created on March 26, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 2-Phenylethanethiol?

The IUPAC name of 2-Phenylethanethiol is 2-phenylethanethiol.

What is the InChI of 2-Phenylethanethiol?

The InChI of 2-Phenylethanethiol is InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.

What is the InChIKey of 2-Phenylethanethiol?

The InChIKey of 2-Phenylethanethiol is ZMRFRBHYXOQLDK-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Phenylethanethiol?

The Canonical SMILES of 2-Phenylethanethiol is C1=CC=C(C=C1)CCS.

What is the CAS number of 2-Phenylethanethiol?

The CAS number of 2-Phenylethanethiol is 4410-99-5.

What is the molecular weight, XLogP3, and hydrogen bond donor count of 2-Phenylethanethiol?

The molecular weight of 2-Phenylethanethiol is 138.23 g/mol, XLogP3 is 2.6, and the hydrogen bond donor count is 1.