Home Carboxys Methyl 4-nitro-1H-pyrazole-3-carboxylate

Methyl 4-nitro-1H-pyrazole-3-carboxylate

CAS No.:
138786-86-4
Catalog Number:
AG0019K1
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$40
- +
5g
95%
In Stock USA
United States
$82
- +
10g
≥98%
In Stock USA
United States
$121
- +
25g
95%
In Stock USA
United States
$214
- +
100g
95%
In Stock USA
United States
$623
- +
Product Description
Catalog Number:
AG0019K1
Chemical Name:
Methyl 4-nitro-1H-pyrazole-3-carboxylate
CAS Number:
138786-86-4
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00505604
IUPAC Name:
methyl 4-nitro-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C5H5N3O4/c1-12-5(9)4-3(8(10)11)2-6-7-4/h2H,1H3,(H,6,7)
InChI Key:
ARAFBUCGMOKZMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1C(=O)OC
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties