3,5-dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

3,5-dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

CAS: 59694-23-4

Formula: C7H7N3O6

SMILES: COC(=O)C1=C(C(=NN1)C(=O)OC)N(=O)=O

IUPAC: 3,5-dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

InChI: InChI=1S/C7H7N3O6/c1-15-6(11)3-5(10(13)14)4(9-8-3)7(12)16-2/h1-2H3,(H,8,9)

Composition: C (36.69%), H (3.08%), N (18.34%), O (41.89%)

Molar Mass: 229.148

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.033484957
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RRANRLASTUBGSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.63
Topological Polar Surface Area	127.1
Polarizability	18.31
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	59694-23-4		$201.76$201.76