200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89721-67-5
89721-67-5 | 1,2-Benzisothiazole, 5-(4-nitrophenoxy)-
CAS No: 89721-67-5 Catalog No: AG00431J MDL No:
Product Description
Catalog Number:
AG00431J
Chemical Name:
1,2-Benzisothiazole, 5-(4-nitrophenoxy)-
CAS Number:
89721-67-5
Molecular Formula:
C13H8N2O3S
Molecular Weight:
272.2792
IUPAC Name:
5-(4-nitrophenoxy)-1,2-benzothiazole
InChI:
InChI=1S/C13H8N2O3S/c16-15(17)10-1-3-11(4-2-10)18-12-5-6-13-9(7-12)8-14-19-13/h1-8H
InChI Key:
OTKIXEOAIPKXRH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc2c(c1)cns2
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:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.