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N-[(2,3,4,5,6-²H?)phenyl](²H?)aniline

N-[(2,3,4,5,6-²H?)phenyl](²H?)aniline

CAS: 37055-51-9

Formula: C12H11N

SMILES: [2H]C1=C([2H])C([2H])=C(NC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])C([2H])=C1[2H]

IUPAC: N-[(2,3,4,5,6-²H?)phenyl](²H?)aniline

InChI: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D

Composition: C (80.39%), H (0.56%), [2H] (11.23%), N (7.81%)

Molar Mass: 179.288

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 179.151916817
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DMBHHRLKUKUOEG-LHNTUAQVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.54
Topological Polar Surface Area 12.03
Polarizability 21.14
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 37055-51-9 $151.98-$487.56$151.98$487.56
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