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1-[(1,1,2,2,2-²H?)ethyl](²H?)benzene

1-[(1,1,2,2,2-²H?)ethyl](²H?)benzene

CAS: 25837-05-2

Formula: C8H10

SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])C([2H])([2H])[2H]

IUPAC: 1-[(1,1,2,2,2-²H?)ethyl](²H?)benzene

InChI: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D

Composition: C (82.67%), H (0.00%), [2H] (17.33%)

Molar Mass: 116.229

Atom Count: 18

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 116.141017781
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YNQLUTRBYVCPMQ-CFTAVCBPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.7
Topological Polar Surface Area 0
Polarizability 14.01
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 25837-05-2 $324.30$324.30
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