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Home > Nitro Compounds > 56634-85-6
56634-85-6 | 5-methyl-4-nitroso-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CAS No: 56634-85-6 Catalog No: AG00JF1D MDL No:MFCD00454188
Product Description
Catalog Number:
AG00JF1D
Chemical Name:
5-methyl-4-nitroso-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CAS Number:
56634-85-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD00454188
IUPAC Name:
5-methyl-4-nitroso-2-phenyl-4H-pyrazol-3-one
InChI:
InChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,9H,1H3
InChI Key:
LVJPTEOXAACFFI-UHFFFAOYSA-N
SMILES:
O=NC1C(=NN(C1=O)c1ccccc1)C
Properties
Complexity:
308
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:
4
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:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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