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Home > Nitro Compounds > 86100-00-7
86100-00-7 | 1H-Pyrazole, 3,5-dimethyl-1-(2-nitrosophenyl)-
CAS No: 86100-00-7 Catalog No: AG004L3A MDL No:
Product Description
Catalog Number:
AG004L3A
Chemical Name:
1H-Pyrazole, 3,5-dimethyl-1-(2-nitrosophenyl)-
CAS Number:
86100-00-7
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
3,5-dimethyl-1-(2-nitrosophenyl)pyrazole
InChI:
InChI=1S/C11H11N3O/c1-8-7-9(2)14(12-8)11-6-4-3-5-10(11)13-15/h3-7H,1-2H3
InChI Key:
PXKRCZSQYLXMLZ-UHFFFAOYSA-N
SMILES:
O=Nc1ccccc1n1nc(cc1C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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