Home Carboxys ethyl 1-tert-butyl-5-iodo-1H-pyrazole-4-carboxylate

ethyl 1-tert-butyl-5-iodo-1H-pyrazole-4-carboxylate

CAS No.:
1374258-24-8
Catalog Number:
AG01B26E
Molecular Formula:
C10H15IN2O2
Molecular Weight:
322.1428
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Product Description
Catalog Number:
AG01B26E
Chemical Name:
ethyl 1-tert-butyl-5-iodo-1H-pyrazole-4-carboxylate
CAS Number:
1374258-24-8
Molecular Formula:
C10H15IN2O2
Molecular Weight:
322.1428
MDL Number:
MFCD25542256
IUPAC Name:
ethyl 1-tert-butyl-5-iodopyrazole-4-carboxylate
InChI:
InChI=1S/C10H15IN2O2/c1-5-15-9(14)7-6-12-13(8(7)11)10(2,3)4/h6H,5H2,1-4H3
InChI Key:
FREGHPVLEPOIFA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1I)C(C)(C)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.018g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.146g/mol
Monoisotopic Mass:
322.018g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties