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Home > Nitro Compounds > 18799-17-2
18799-17-2 | 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazenyl]-
CAS No: 18799-17-2 Catalog No: AG002GM5 MDL No:
Product Description
Catalog Number:
AG002GM5
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-4-[2-(4-methyl-2-nitrophenyl)diazenyl]-
CAS Number:
18799-17-2
Molecular Formula:
C11H11N5O3
Molecular Weight:
261.2367
IUPAC Name:
5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C11H11N5O3/c1-6-3-4-8(9(5-6)16(18)19)13-14-10-7(2)12-15-11(10)17/h3-5H,1-2H3,(H2,12,15,17)
InChI Key:
NRRBJCRPOJQNGS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(C)[nH][nH]c1=O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.241g/mol
Monoisotopic Mass:
261.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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