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Home Nitros 1-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one

1-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one

CAS No.:
1002651-00-4
Catalog Number:
AG0001FJ
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG0001FJ
Chemical Name:
1-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one
CAS Number:
1002651-00-4
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD03885073
IUPAC Name:
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one
InChI:
InChI=1S/C8H11N3O3/c1-5(12)4-10-7(3)8(11(13)14)6(2)9-10/h4H2,1-3H3
InChI Key:
VJZWEQIULJNRTP-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties