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1-nitro(1,2,3,4,5,6-¹³C?)benzene

1-nitro(1,2,3,4,5,6-¹³C?)benzene

CAS: 89059-37-0

Formula: C6H5NO2

SMILES: [O-][N+](=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1

IUPAC: 1-nitro(1,2,3,4,5,6-¹³C?)benzene

InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1+1,2+1,3+1,4+1,5+1,6+1

Composition: [13C] (60.45%), H (3.91%), N (10.85%), O (24.79%)

Molar Mass: 129.065

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 129.052157415
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LQNUZADURLCDLV-IDEBNGHGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.38
Topological Polar Surface Area 43.14
Polarizability 12.2
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 89059-37-0 $156.06-$1,221.96$156.06$1,221.96
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