ethyl 3-iodo-1H-pyrazole-4-carboxylate

ethyl 3-iodo-1H-pyrazole-4-carboxylate

CAS: 827316-43-8

Formula: C6H7IN2O2

SMILES: CCOC(=O)C1=CNN=C1I

IUPAC: ethyl 3-iodo-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C6H7IN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)

Composition: C (27.09%), H (2.65%), I (47.70%), N (10.53%), O (12.03%)

Molar Mass: 266.038

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.95522
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GCZGLIKEVZAURZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.59
Topological Polar Surface Area	54.98
Polarizability	18.96
Ring Count	1
Rotatable Bond Count	3

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