Home Carboxys tert-Butyl 1H-Pyrazole-1-carboxylate

tert-Butyl 1H-Pyrazole-1-carboxylate

CAS No.:
219580-32-2
Catalog Number:
AG003UJ1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$32
- +
25g
97%
In Stock USA
United States
$94
- +
100g
97%
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG003UJ1
Chemical Name:
tert-Butyl 1H-Pyrazole-1-carboxylate
CAS Number:
219580-32-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00800729
IUPAC Name:
tert-butyl pyrazole-1-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h4-6H,1-3H3
InChI Key:
BSJFXAFLSWDUPK-UHFFFAOYSA-N
SMILES:
O=C(n1cccn1)OC(C)(C)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties