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Home > Nitro Compounds > 79462-56-9
79462-56-9 | Benzothiazole, 2-(4-nitrophenoxy)-
CAS No: 79462-56-9 Catalog No: AG005JLI MDL No:
Product Description
Catalog Number:
AG005JLI
Chemical Name:
Benzothiazole, 2-(4-nitrophenoxy)-
CAS Number:
79462-56-9
Molecular Formula:
C13H8N2O3S
Molecular Weight:
272.2792
IUPAC Name:
2-(4-nitrophenoxy)-1,3-benzothiazole
InChI:
InChI=1S/C13H8N2O3S/c16-15(17)9-5-7-10(8-6-9)18-13-14-11-3-1-2-4-12(11)19-13/h1-8H
InChI Key:
LVAUSLPRLNYNRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1nc2c(s1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.278g/mol
Monoisotopic Mass:
272.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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