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Home > Nitro Compounds > 86108-00-1
86108-00-1 | Pyridine, 2-[3-(4-nitrophenyl)-1-triazenyl]-
CAS No: 86108-00-1 Catalog No: AG004TXI MDL No:
Product Description
Catalog Number:
AG004TXI
Chemical Name:
Pyridine, 2-[3-(4-nitrophenyl)-1-triazenyl]-
CAS Number:
86108-00-1
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
IUPAC Name:
4-nitro-N-(pyridin-2-yldiazenyl)aniline
InChI:
InChI=1S/C11H9N5O2/c17-16(18)10-6-4-9(5-7-10)13-15-14-11-3-1-2-8-12-11/h1-8H,(H,12,13,14)
InChI Key:
CQWGWAURIBKHIK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NN=Nc1ccccn1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.226g/mol
Monoisotopic Mass:
243.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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