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Home > Nitro Compounds > 886851-64-5
886851-64-5 | 1H-Pyrazole,1-methyl-3-(3-nitrophenyl)-
CAS No: 886851-64-5 Catalog No: AG0047UH MDL No:MFCD00665958
Product Description
Catalog Number:
AG0047UH
Chemical Name:
1H-Pyrazole,1-methyl-3-(3-nitrophenyl)-
CAS Number:
886851-64-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD00665958
IUPAC Name:
1-methyl-3-(3-nitrophenyl)pyrazole
InChI:
InChI=1S/C10H9N3O2/c1-12-6-5-10(11-12)8-3-2-4-9(7-8)13(14)15/h2-7H,1H3
InChI Key:
AEXWKVVHYKZHND-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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