(2-Carboxyethyl)triphenylphosphonium Bromide

• Catalog Number: ACM51114944
• Product Name: (2-Carboxyethyl)triphenylphosphonium Bromide
• CAS: 51114-94-4
• Category: Organic Phosphine Compounds
• Synonyms: Phosphonium, (2-carboxyethyl)triphenyl-, bromide; AC1MBZT3; SY067471; 2-carboxyethyl(triphenyl)phosphonium bromide; 2-Carboxyethyl triphenylphosponium bromide; C21H20O2P.Br; AX8044166; KS-00000LCD; ST24033848; OR18825
• IUPAC Name: 2-carboxyethyl(triphenyl)phosphanium;bromide
• Molecular Weight: 415.267g/mol
• Molecular Formula: C21H20BrO2P
• Canonical SMILES: C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C21H19O2P.BrH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H
• InChI Key: BVKRDNIULHRLCO-UHFFFAOYSA-N
• Complexity: 345
• Covalently-Bonded Unit Count: 2
• EC Number: 610-613-0
• Exact Mass: 414.038g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 25
• Monoisotopic Mass: 414.038g/mol
• NSC Number: 84145
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 37.3A^2

Custom Q&A

What is the molecular formula of (2-Carboxyethyl)triphenylphosphonium Bromide?

The molecular formula is C21H20BrO2P.

What is the molecular weight of (2-Carboxyethyl)triphenylphosphonium Bromide?

The molecular weight is 415.3 g/mol.

What is the IUPAC name of (2-Carboxyethyl)triphenylphosphonium Bromide?

The IUPAC name is 2-carboxyethyl(triphenyl)phosphanium;bromide.

What is the InChI of (2-Carboxyethyl)triphenylphosphonium Bromide?

The InChI is InChI=1S/C21H19O2P.BrH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H.

What is the InChIKey of (2-Carboxyethyl)triphenylphosphonium Bromide?

The InChIKey is BVKRDNIULHRLCO-UHFFFAOYSA-N.

What is the canonical SMILES of (2-Carboxyethyl)triphenylphosphonium Bromide?

The canonical SMILES is C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].

What is the CAS number of (2-Carboxyethyl)triphenylphosphonium Bromide?

The CAS number is 51114-94-4.

How many hydrogen bond donor counts are there in (2-Carboxyethyl)triphenylphosphonium Bromide?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in (2-Carboxyethyl)triphenylphosphonium Bromide?

There are 3 hydrogen bond acceptor counts.

How many rotatable bond counts are there in (2-Carboxyethyl)triphenylphosphonium Bromide?

There are 6 rotatable bond counts.