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tert-butyl N-[cyano(phenyl)methyl]carbamate

tert-butyl N-[cyano(phenyl)methyl]carbamate

CAS: 78558-73-3

Formula: C13H16N2O2

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

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

InChI: InChI=1/C13H16N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16)

Composition: C (67.22%), H (6.94%), N (12.06%), O (13.78%)

Molar Mass: 232.283

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 232.121177763
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UWMFDFGRVUUNOU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.21
Topological Polar Surface Area 62.12
Polarizability 24.96
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 78558-73-3 $181.44$181.44
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