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4-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

4-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

CAS: 128924-07-2

Formula: C13H11NO2S

SMILES: CSC1=CC=C(C=C1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-(methylsulfanyl)-4'-nitro-1,1'-biphenyl

InChI: InChI=1S/C13H11NO2S/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9H,1H3

Composition: C (63.65%), H (4.52%), N (5.71%), O (13.04%), S (13.07%)

Molar Mass: 245.3

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.051049772
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PLIRLGHOMAFEIB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.27
Topological Polar Surface Area 43.14
Polarizability 28.03
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 128924-07-2 $246.10-$572.70$246.10$572.70
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