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Home > Nitro Compounds > 1002651-00-4
1002651-00-4 | 2-Propanone, 1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-
CAS No: 1002651-00-4 Catalog No: AG0001FJ MDL No:MFCD03885073
Product Description
Catalog Number:
AG0001FJ
Chemical Name:
2-Propanone, 1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-
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
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