COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CAS: 4009-98-7
Name: methoxymethyl(triphenyl)phosphanium
SMILES: COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Molecular Processing

Molecular formula
C20H20OP+
Molecular weight
307.35
Exact mass
307.1246
XLogP
3.58
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
97.02

Supplementary Information

InChIKey: SDMCZCALYDCRBH-UHFFFAOYSA-N
Synonyme
EINECS 223-664-5NSC 49223AI3-60088EC 223-664-5Phosphonium, (methoxymethyl)triphenyl-, chlorideRefChem:406595Phosphonium, (methoxymethyl)triphenyl, chloride223-664-5(methoxymethyl)triphenylphosphonium chloride4009-98-7(Methoxymethyl)triphenylphosphonium50443-21-5methoxymethyl(triphenyl)phosphaniumSCHEMBL156465methoxymethyltriphenylphosphoraneSCHEMBL8553119SCHEMBL27265439SCHEMBL29371717SDMCZCALYDCRBH-UHFFFAOYSA-SDMCZCALYDCRBH-UHFFFAOYSA-NAKOS027322312methoxymethyl-triphenylphosphanium chlorideNS00002851InChI=1/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
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