[1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide

• CAS: 30018-16-7
• Catalog Number: ACM30018167
• Category: Bromine Series
• Molecular Weight: 443.321g/mol
• Molecular Formula: C23H24BrO2P
• Synonyms: (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium,bromide; AC1MJ2OV; BC005146; ST24026058; ETHYL 1-(TRIPHENYLPHOSPHONIO)PROPIONATE BROMIDE; TRA0097269; (1-ETHOXYCARBONYLETHYL)TRIPHENYLPHOSPHONIUM BROMIDE 96%; ZX-AT008542; PHOSPHONIUM, (2-ETHOXY-1-METHYL-2-OXOETHYL)TRIPHENYL-, BROMIDE; BCP21873
• IUPAC Name: (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide
• Canonical SMILES: CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
• InChI Key: RSYXORMKBUFAMS-UHFFFAOYSA-M
• Application: suzuki reaction
• Storage: Refrigerator (+4°C)
• Complexity: 386
• Covalently-Bonded Unit Count: 2
• EC Number: 250-002-2
• Exact Mass: 442.07g/mol
• H-Bond Acceptor: 3
• Heavy Atom Count: 27
• Monoisotopic Mass: 442.07g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 26.3A^2
• Undefined Atom Stereocenter Count: 1

Custom Q&A

What is the molecular formula of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The molecular formula is C23H24BrO2P.

What is the molecular weight of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The molecular weight is 443.3 g/mol.

What are the synonyms for [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The synonyms are 30018-16-7, (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide, 1-(Ethoxycarbonyl)ethyltriphenylphosphonium bromide, and 1-CARBETHOXYETHYL TRIPHENYLPHOSPHONIUM BROMIDE.

What is the IUPAC name of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The IUPAC name is (1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium; bromide.

What is the InChI of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The InChI is InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1.

What is the InChIKey of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The InChIKey is RSYXORMKBUFAMS-UHFFFAOYSA-M.

What is the canonical SMILES of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

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

What is the CAS number of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The CAS number is 30018-16-7.

What is the European Community (EC) number of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The European Community (EC) number is 250-002-2.

What is the molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, and rotatable bond count of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide?

The molecular weight is 443.3 g/mol, the hydrogen bond donor count is 0, the hydrogen bond acceptor count is 3, and the rotatable bond count is 7.