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5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-nitropyridine

5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-nitropyridine

CAS: 2307671-05-0

Formula: C13H8BrCl2FN2O3

SMILES: CC(OC1=CC(Br)=CN=C1[N+]([O-])=O)C1=C(Cl)C=CC(F)=C1Cl

IUPAC: 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-nitropyridine

InChI: InChI=1/C13H8BrCl2FN2O3/c1-6(11-8(15)2-3-9(17)12(11)16)22-10-4-7(14)5-18-13(10)19(20)21/h2-6H,1H3

Composition: C (38.08%), H (1.97%), Br (19.49%), Cl (17.29%), F (4.63%), N (6.83%), O (11.71%)

Molar Mass: 410.02

Atom Count: 30

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 407.907939
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QEOIXKVEGKNSPD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 83.48
Topological Polar Surface Area 65.26
Polarizability 31.97
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2307671-05-0 $227.70-$2,297.70$227.70$342.70$572.70$977.50$1,587.00$2,297.70
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