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methyl 2-[(tert-butoxycarbonyl)amino]-2-(2-nitrophenyl)acetate

methyl 2-[(tert-butoxycarbonyl)amino]-2-(2-nitrophenyl)acetate

CAS: 239077-32-8

Formula: C14H18N2O6

SMILES: COC(=O)C(NC(=O)OC(C)(C)C)C1=CC=CC=C1[N+]([O-])=O

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}-2-(2-nitrophenyl)acetate

InChI: InChI=1/C14H18N2O6/c1-14(2,3)22-13(18)15-11(12(17)21-4)9-7-5-6-8-10(9)16(19)20/h5-8,11H,1-4H3,(H,15,18)

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 310.306

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 310.116486308
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NUGIAJUXVQMDLV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.32
Topological Polar Surface Area 107.77
Polarizability 29.71
Ring Count 1
Rotatable Bond Count 7

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98% <2 Days 239077-32-8 $687.70-$4,597.70$687.70$1,147.70$4,597.70
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