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tert-butyl N-(4-nitrophenyl)carbamate

tert-butyl N-(4-nitrophenyl)carbamate

CAS: 18437-63-3

Formula: C11H14N2O4

SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl N-(4-nitrophenyl)carbamate

InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)12-8-4-6-9(7-5-8)13(15)16/h4-7H,1-3H3,(H,12,14)

Composition: C (55.46%), H (5.92%), N (11.76%), O (26.86%)

Molar Mass: 238.243

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.095356939
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XZBFRRXPMQLVPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.67
Topological Polar Surface Area 81.47
Polarizability 23.35
Ring Count 1
Rotatable Bond Count 4

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