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Home > Nitro Compounds > 131394-08-6
131394-08-6 | 2-Propanone, 1-(3-nitro-1H-pyrazol-1-yl)-
CAS No: 131394-08-6 Catalog No: AG000W30 MDL No:MFCD00459729
Product Description
Catalog Number:
AG000W30
Chemical Name:
2-Propanone, 1-(3-nitro-1H-pyrazol-1-yl)-
CAS Number:
131394-08-6
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD00459729
IUPAC Name:
1-(3-nitropyrazol-1-yl)propan-2-one
InChI:
InChI=1S/C6H7N3O3/c1-5(10)4-8-3-2-6(7-8)9(11)12/h2-3H,4H2,1H3
InChI Key:
RIBGYLUDUASCIU-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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