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Home > Nitro Compounds > 67483-28-7
67483-28-7 | 1,3-Benzenediol, 5-nitro-4-(2-thiazolylazo)-
CAS No: 67483-28-7 Catalog No: AG005NTM MDL No:
Product Description
Catalog Number:
AG005NTM
Chemical Name:
1,3-Benzenediol, 5-nitro-4-(2-thiazolylazo)-
CAS Number:
67483-28-7
Molecular Formula:
C9H6N4O4S
Molecular Weight:
266.2333
IUPAC Name:
5-nitro-4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol
InChI:
InChI=1S/C9H6N4O4S/c14-5-3-6(13(16)17)8(7(15)4-5)11-12-9-10-1-2-18-9/h1-4,14-15H
InChI Key:
UPUFNEVLFAZESD-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)[N+](=O)[O-])N=Nc1nccs1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.231g/mol
Monoisotopic Mass:
266.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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