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

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

CAS: 1027819-68-6

Formula: C7H7IN2O4

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

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

InChI: InChI=1S/C7H7IN2O4/c1-13-6(11)4-3(8)5(10-9-4)7(12)14-2/h1-2H3,(H,9,10)

Composition: C (27.12%), H (2.28%), I (40.93%), N (9.04%), O (20.64%)

Molar Mass: 310.047

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.94505
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DZTBXBZXHKXCOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.66
Topological Polar Surface Area	81.28
Polarizability	21.68
Ring Count	1
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1027819-68-6		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43