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N-[(3-methoxyphenyl)methyl]-2-methyl-4-nitroaniline

N-[(3-methoxyphenyl)methyl]-2-methyl-4-nitroaniline

Formula: C15H16N2O3

SMILES: COC1=CC=CC(CNC2=CC=C(C=C2C)[N+]([O-])=O)=C1

IUPAC: N-[(3-methoxyphenyl)methyl]-2-methyl-4-nitroaniline

InChI: InChI=1S/C15H16N2O3/c1-11-8-13(17(18)19)6-7-15(11)16-10-12-4-3-5-14(9-12)20-2/h3-9,16H,10H2,1-2H3

Composition: C (66.16%), H (5.92%), N (10.29%), O (17.63%)

Molar Mass: 272.304

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.116092383
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PUGDKZBPMHPDOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.69
Topological Polar Surface Area 64.4
Polarizability 29.04
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H16N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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