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Oxazepam-d5

CAS: 65854-78-6
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65854-78-6

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1 Oxazepam-d5
2 DTXSID80574138
3 RefChem:1094005
4 DTXCID20524910
5 7-chloro-3-hydroxy-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

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Molecular Formula C15H11ClN2O2
Canonical SMILES
Isomeric SMILES
Molecular Weight 291.7400
InChIKey ADIMAYPTOBDMTL-RALIUCGRSA-N
InChI InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)/i1D,2D,3D,4D,5D
XLogP 2.2000
ExactMass 291.0823
MonoisotopicMass 291.0823
TPSA 61.7000
Complexity 407.0000
Charge 0.0000
HBondDonorCount 2
HBondAcceptorCount 3
RotatableBondCount 1
HeavyAtomCount 20
IsotopeAtomCount 5
AtomStereoCount 1
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 1
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 17
PatentFamilyCount 13
LiteratureCount 0