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2-(2-{[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methyl}diazen-1-yl)-5-nitropyridine

2-(2-{[3-bromo-5-chloro-4-(naphthalen-2-ylmethoxy)phenyl]methyl}diazen-1-yl)-5-nitropyridine

Formula: C23H16BrClN4O3

SMILES: [O-][N+](=O)C1=CC=C(N=NCC2=CC(Br)=C(OCC3=CC4=CC=CC=C4C=C3)C(Cl)=C2)N=C1

IUPAC: 2-[2-({3-bromo-5-chloro-4-[(naphthalen-2-yl)methoxy]phenyl}methyl)diazen-1-yl]-5-nitropyridine

InChI: InChI=1S/C23H16BrClN4O3/c24-20-10-16(12-27-28-22-8-7-19(13-26-22)29(30)31)11-21(25)23(20)32-14-15-5-6-17-3-1-2-4-18(17)9-15/h1-11,13H,12,14H2

Composition: C (53.98%), H (3.15%), Br (15.61%), Cl (6.93%), N (10.95%), O (9.38%)

Molar Mass: 511.76

Atom Count: 48

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 510.009431
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey QQXMLDKKTNWWMR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 127.63
Topological Polar Surface Area 89.98
Polarizability 48.65
Ring Count 4
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H16BrClN4O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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