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Home > Nitro Compounds > 16247-83-9
16247-83-9 | 8-Quinolinol, 5-[2-(5-nitro-2-thiazolyl)diazenyl]-
CAS No: 16247-83-9 Catalog No: AG001T6X MDL No:
Product Description
Catalog Number:
AG001T6X
Chemical Name:
8-Quinolinol, 5-[2-(5-nitro-2-thiazolyl)diazenyl]-
CAS Number:
16247-83-9
Molecular Formula:
C12H7N5O3S
Molecular Weight:
301.2807
IUPAC Name:
5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-ol
InChI:
InChI=1S/C12H7N5O3S/c18-9-4-3-8(7-2-1-5-13-11(7)9)15-16-12-14-6-10(21-12)17(19)20/h1-6,18H
InChI Key:
XDTVCFKVUJSVHZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)N=Nc1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.28g/mol
Monoisotopic Mass:
301.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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