Home Carbonyls 1-tert-Butoxycarbonyl-3-iodo-1h-pyrazole

1-tert-Butoxycarbonyl-3-iodo-1h-pyrazole

CAS No.:
1233513-13-7
Catalog Number:
AG009WLC
Molecular Formula:
C8H11IN2O2
Molecular Weight:
294.0896
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$330
- +
Product Description
Catalog Number:
AG009WLC
Chemical Name:
1-tert-Butoxycarbonyl-3-iodo-1h-pyrazole
CAS Number:
1233513-13-7
Molecular Formula:
C8H11IN2O2
Molecular Weight:
294.0896
MDL Number:
MFCD12407121
IUPAC Name:
tert-butyl 3-iodopyrazole-1-carboxylate
InChI:
InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-4-6(9)10-11/h4-5H,1-3H3
InChI Key:
RKFMLIZYBJXJEB-UHFFFAOYSA-N
SMILES:
O=C(n1ccc(n1)I)OC(C)(C)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.987g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.092g/mol
Monoisotopic Mass:
293.987g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties