1H-Pyrazole-1-carboxylic acid, 4-iodo-, 1,1-dimethylethyl ester


Chemical Name: 1H-Pyrazole-1-carboxylic acid, 4-iodo-, 1,1-dimethylethyl ester
CAS Number: 121669-70-3
Product Number: AG0015JE(AGN-PC-01LR0N)
Synonyms:
MDL No: MFCD05663855
Molecular Formula: C8H11IN2O2
Molecular Weight: 294.0896

Identification/Properties


Computed Properties
Molecular Weight:
294.092g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
293.987g/mol
Monoisotopic Mass:
293.987g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback