1-(Ethoxycarbonyl)ethyltriphenylphosphonium bromide

Catalog Number	ACM30018167-1
CAS	30018-16-7
Structure
Synonyms	(1-Carboethoxyethyl)triphenylphosphonium bromide; Ethyl 1-(triphenylphosphonio)propionate bromide
IUPAC Name	(1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide
Molecular Weight	443.31
Molecular Formula	C23H24BrO2P
InChI	RSYXORMKBUFAMS-UHFFFAOYSA-M
InChI Key	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
Melting Point	152 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CCOC(=O)C(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Q&A

What is the CAS number for the compound (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

The CAS number is 30018-16-7.

How many hydrogen bond acceptor counts does (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide have?

It has 3 hydrogen bond acceptor counts.

What is the molecular weight of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

The molecular weight is 443.3g/mol.

What is the Canonical SMILES representation of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

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

How many heavy atoms are present in (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

There are 27 heavy atoms.

What is the IUPAC name of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

(1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium;bromide

What is the Monoisotopic Mass of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

The Monoisotopic Mass is 442.06973.

How many rotatable bond counts are there in (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

There are 7 rotatable bond counts.

What is the Topological Polar Surface Area of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

The Topological Polar Surface Area is 26.3.

What is the InChIKey of (1-Ethoxy-1-oxopropan-2-yl)triphenylphosphonium bromide?

The InChIKey is RSYXORMKBUFAMS-UHFFFAOYSA-M.