Phenoxarsine, 10,10'-oxydi-
  • CAS Number 58-36-6
  • Catalog Number io-2833
  • Classification Ethers
  • Molecular Weight 502.2000
  • SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64
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1 10,10'-Oxybisphenoxarsine
2 10,10-Oxybisphenoxarsine
3 OBPA
4 10,10'-Oxybis(phenoxarsine)
5 Durotex
Molecular Formula C24H16As2O3
Canonical SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64
Isomeric SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64
Molecular Weight 502.2000
InChIKey VCRZAKVGPJFABU-UHFFFAOYSA-N
InChI InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
XLogP 0.0000
ExactMass 501.9531
MonoisotopicMass 501.9531
TPSA 27.7000
Complexity 482.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 3
RotatableBondCount 2
HeavyAtomCount 29
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 2287
PatentFamilyCount 1200
LiteratureCount 15