tert-butyl N-(tert-butoxycarbonyl)-N-(3-nitropyridin-2-yl)carbamate

tert-butyl N-(tert-butoxycarbonyl)-N-(3-nitropyridin-2-yl)carbamate

CAS: 1044758-23-7

Formula: C15H21N3O6

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

IUPAC: tert-butyl N-[(tert-butoxy)carbonyl]-N-(3-nitropyridin-2-yl)carbamate

InChI: InChI=1S/C15H21N3O6/c1-14(2,3)23-12(19)17(13(20)24-15(4,5)6)11-10(18(21)22)8-7-9-16-11/h7-9H,1-6H3

Composition: C (53.09%), H (6.24%), N (12.38%), O (28.29%)

Molar Mass: 339.348

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	339.143035408
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	SDKVOBASBFCVML-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.04
Topological Polar Surface Area	111.87
Polarizability	32.51
Ring Count	1
Rotatable Bond Count	6

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