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Home > Nitro Compounds > 573711-98-5
573711-98-5 | 1-METHYL-5-(3-NITROPHENYL)-1H-PYRAZOLE
CAS No: 573711-98-5 Catalog No: AG01C9ZE MDL No:MFCD19440884
Product Description
Catalog Number:
AG01C9ZE
Chemical Name:
1-METHYL-5-(3-NITROPHENYL)-1H-PYRAZOLE
CAS Number:
573711-98-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD19440884
IUPAC Name:
1-methyl-5-(3-nitrophenyl)pyrazole
InChI:
InChI=1S/C10H9N3O2/c1-12-10(5-6-11-12)8-3-2-4-9(7-8)13(14)15/h2-7H,1H3
InChI Key:
GUMGZHMYXHXJTE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccnn1C
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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