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Home > Nitro Compounds > 124032-81-1
124032-81-1 | 1H-Pyrazole, 1,3-dimethyl-4-nitroso-5-phenyl-
CAS No: 124032-81-1 Catalog No: AG000LGA MDL No:
Product Description
Catalog Number:
AG000LGA
Chemical Name:
1H-Pyrazole, 1,3-dimethyl-4-nitroso-5-phenyl-
CAS Number:
124032-81-1
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
1,3-dimethyl-4-nitroso-5-phenylpyrazole
InChI:
InChI=1S/C11H11N3O/c1-8-10(13-15)11(14(2)12-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
SZJNIEJCIMBATB-UHFFFAOYSA-N
SMILES:
O=Nc1c(C)nn(c1c1ccccc1)C
Properties
Complexity:
228
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:
1.7
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