Home Other Building Blocks METHYL 1-NITRO-1H-PYRAZOLE-3-CARBOXYLATE

METHYL 1-NITRO-1H-PYRAZOLE-3-CARBOXYLATE

CAS No.:
198348-95-7
Catalog Number:
AG01DKSY
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$178
- +
Product Description
Catalog Number:
AG01DKSY
Chemical Name:
METHYL 1-NITRO-1H-PYRAZOLE-3-CARBOXYLATE
CAS Number:
198348-95-7
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD04969682
IUPAC Name:
methyl 1-nitropyrazole-3-carboxylate
InChI:
InChI=1S/C5H5N3O4/c1-12-5(9)4-2-3-7(6-4)8(10)11/h2-3H,1H3
InChI Key:
BDLVKJVQPGBRLE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)n1ccc(n1)C(=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:
0
Isotope Atom Count:
0
Molecular Weight:
171.112g/mol
Monoisotopic Mass:
171.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties