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2-[(E)-(adamantan-1-ylimino)methyl]-6-ethoxy-4-nitrophenol

2-[(E)-(adamantan-1-ylimino)methyl]-6-ethoxy-4-nitrophenol

Formula: C19H24N2O4

SMILES: CCOC1=CC(=CC(C=NC23CC4CC(CC(C4)C2)C3)=C1O)[N+]([O-])=O

IUPAC: 2-[(E)-[(adamantan-1-yl)imino]methyl]-6-ethoxy-4-nitrophenol

InChI: InChI=1S/C19H24N2O4/c1-2-25-17-7-16(21(23)24)6-15(18(17)22)11-20-19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14,22H,2-5,8-10H2,1H3/b20-11+

Composition: C (66.26%), H (7.02%), N (8.13%), O (18.58%)

Molar Mass: 344.411

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 344.173607261
Formal Charge 0
FSP3 0.63
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JJVQIKRMINYHJW-RGVLZGJSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.73
Topological Polar Surface Area 84.96
Polarizability 35.97
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H24N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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