tert-butyl 2-(5-nitropyridin-2-yl)acetate

tert-butyl 2-(5-nitropyridin-2-yl)acetate

CAS: 790714-73-7

Formula: C11H14N2O4

SMILES: CC(C)(C)OC(=O)CC1=CC=C(C=N1)[N+]([O-])=O

IUPAC: tert-butyl 2-(5-nitropyridin-2-yl)acetate

InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)6-8-4-5-9(7-12-8)13(15)16/h4-5,7H,6H2,1-3H3

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	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NMDXDNSQQMHSHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.73
Topological Polar Surface Area	82.33
Polarizability	23.18
Ring Count	1
Rotatable Bond Count	5

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