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Home > Nitro Compounds > 1225716-17-5
1225716-17-5 | "6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol"
CAS No: 1225716-17-5 Catalog No: AG01FMR8 MDL No:MFCD22587450
Product Description
Catalog Number:
AG01FMR8
Chemical Name:
"6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol"
CAS Number:
1225716-17-5
Molecular Formula:
C11H7N5O2S
Molecular Weight:
273.2706
MDL Number:
MFCD22587450
IUPAC Name:
6-(3-nitrophenyl)-2H-[1,2,4]triazolo[4,3-b]pyridazine-3-thione
InChI:
InChI=1S/C11H7N5O2S/c17-16(18)8-3-1-2-7(6-8)9-4-5-10-12-13-11(19)15(10)14-9/h1-6H,(H,13,19)
InChI Key:
KFRLTTKJGVNSRS-UHFFFAOYSA-N
SMILES:
Sc1nnc2n1nc(cc2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.27g/mol
Monoisotopic Mass:
273.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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