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tert-butyl N-[cyano(2-methoxyphenyl)methyl]carbamate

tert-butyl N-[cyano(2-methoxyphenyl)methyl]carbamate

Formula: C14H18N2O3

SMILES: COC1=C(C=CC=C1)C(NC(=O)OC(C)(C)C)C#N

IUPAC: tert-butyl N-[cyano(2-methoxyphenyl)methyl]carbamate

InChI: InChI=1/C14H18N2O3/c1-14(2,3)19-13(17)16-11(9-15)10-7-5-6-8-12(10)18-4/h5-8,11H,1-4H3,(H,16,17)

Composition: C (64.11%), H (6.92%), N (10.68%), O (18.30%)

Molar Mass: 262.309

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 262.131742448
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KVHINSVENBJHFK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.68
Topological Polar Surface Area 71.35
Polarizability 27.49
Ring Count 1
Rotatable Bond Count 5

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C14H18N2O3 $175.77-$263.66$175.77$263.66
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