Home Nitro Compounds 1002651-00-4
1002651-00-4,MFCD03885073
Catalog No.:AA0001CR
1002651-00-4 | 2-Propanone, 1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-
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1g
95%
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$26.00
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5g
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$75.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001CR
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
Computed 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  

Synonyms
 
1002651-00-4 
1-(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)acetone 
MFCD03885073 
SBB022109 
STK349629 
AKOS000310347 
AKOS015922125 
MCULE-2445694368 
AJ-37095 
ST098676 
Y-0928 
2-Propanone, 1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)- 
1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propan-2-one 
ZINC02518451 
CID3389801 
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one 
1-(3,5-dimethyl-4-nitropyrazolyl)acetone 
AC1MPR4Y 
1-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propan-2-one 
CTK3J8711 
DTXSID60392054 
ZINC2518451 
Literature
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