tert-butyl N-(4-nitro-1H-pyrazol-3-yl)carbamate

tert-butyl N-(4-nitro-1H-pyrazol-3-yl)carbamate

CAS: 2101822-96-0

Formula: C8H12N4O4

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

IUPAC: tert-butyl N-(4-nitro-1H-pyrazol-3-yl)carbamate

InChI: InChI=1S/C8H12N4O4/c1-8(2,3)16-7(13)10-6-5(12(14)15)4-9-11-6/h4H,1-3H3,(H2,9,10,11,13)

Composition: C (42.11%), H (5.30%), N (24.55%), O (28.04%)

Molar Mass: 228.208

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.085854882
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NEICYKCOGCKQKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.67
Topological Polar Surface Area	110.15
Polarizability	20.32
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	2101822-96-0		$322.40$322.40