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Home > Nitro Compounds > 2942-06-5
2942-06-5 | Benzothiazole, 6-nitro-
CAS No: 2942-06-5 Catalog No: AG002YC2 MDL No:MFCD00014569
Product Description
Catalog Number:
AG002YC2
Chemical Name:
Benzothiazole, 6-nitro-
CAS Number:
2942-06-5
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
MDL Number:
MFCD00014569
IUPAC Name:
6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChI Key:
QLUFBCVWKTWKBF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)scn2
EC Number:
220-933-9
NSC Number:
170646
Properties
Complexity:
194
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and antileishmanial activity of (1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives. | European journal of medicinal chemistry 20040801 |
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