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N-(2-methoxy-5-nitrophenyl)-2-[N-(3-nitrophenyl)methanesulfonamido]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[N-(3-nitrophenyl)methanesulfonamido]acetamide

Formula: C16H16N4O8S

SMILES: COC1=CC=C(C=C1NC(=O)CN(C1=CC=CC(=C1)[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O

IUPAC: N-(2-methoxy-5-nitrophenyl)-2-[N-(3-nitrophenyl)methanesulfonamido]acetamide

InChI: InChI=1S/C16H16N4O8S/c1-28-15-7-6-13(20(24)25)9-14(15)17-16(21)10-18(29(2,26)27)11-4-3-5-12(8-11)19(22)23/h3-9H,10H2,1-2H3,(H,17,21)

Composition: C (45.28%), H (3.80%), N (13.20%), O (30.16%), S (7.55%)

Molar Mass: 424.38

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 424.068884665
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey KTHVTTSYEGWSIR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.1
Topological Polar Surface Area 161.99
Polarizability 38.47
Ring Count 2
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 C16H16N4O8S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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