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Home > Nitro Compounds > 79885-16-8
79885-16-8 | 6-Benzothiazolol,7-nitroso-
CAS No: 79885-16-8 Catalog No: AG004ZEA MDL No:
Product Description
Catalog Number:
AG004ZEA
Chemical Name:
6-Benzothiazolol,7-nitroso-
CAS Number:
79885-16-8
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
IUPAC Name:
7-nitroso-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C7H4N2O2S/c10-5-2-1-4-7(6(5)9-11)12-3-8-4/h1-3,10H
InChI Key:
XAKFGRRJXKCVJX-UHFFFAOYSA-N
SMILES:
O=Nc1c(O)ccc2c1scn2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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