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Home > Nitro Compounds > 90844-48-7
90844-48-7 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(4-nitrophenyl)azo]-
CAS No: 90844-48-7 Catalog No: AG00H5XR MDL No:
Product Description
Catalog Number:
AG00H5XR
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[(4-nitrophenyl)azo]-
CAS Number:
90844-48-7
Molecular Formula:
C10H9N5O3
Molecular Weight:
247.2102
IUPAC Name:
3-methyl-4-[(4-nitrophenyl)diazenyl]-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C10H9N5O3/c1-6-9(10(16)14-11-6)13-12-7-2-4-8(5-3-7)15(17)18/h2-5,9H,1H3,(H,14,16)
InChI Key:
AFZKXIDNECLGML-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1N=Nc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.214g/mol
Monoisotopic Mass:
247.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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