Synonyms
(Ethoxycarbonylmethyl)triphenylphosphonium bromide; (Carboxymethyl)triphenylphosphonium bromide ethyl ester
IUPAC Name
(2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide
Molecular Weight
429.29
Molecular Formula
C22H22BrO2P
Canonical SMILES
CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
VJVZPTPOYCJFNI-UHFFFAOYSA-M
InChI Key
InChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
Melting Point
145-150 °C(dec.)(lit.)
Purity
98%
Appearance
Solid
Storage
2-8°C
Complexity
359
Covalently-Bonded Unit Count
2
EC Number
216-230-1
Exact Mass
428.054g/mol
H-Bond Acceptor
3
Heavy Atom Count
26
Isomeric SMILES
CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass
428.054g/mol
NSC Number
60450
Rotatable Bond Count
7
Topological Polar Surface Area
26.3A^2
