Home Carboxys 3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester

3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester

CAS No.:
847139-22-4
Catalog Number:
AG00G9CD
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$119
- +
10g
98%
In Stock USA
United States
$213
- +
25g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG00G9CD
Chemical Name:
3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CAS Number:
847139-22-4
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
MDL Number:
MFCD23115360
IUPAC Name:
tert-butyl 3-methyl-4-nitropyrazole-1-carboxylate
InChI:
InChI=1S/C9H13N3O4/c1-6-7(12(14)15)5-11(10-6)8(13)16-9(2,3)4/h5H,1-4H3
InChI Key:
BDFNCVSBBDMLAH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties