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89721-68-6 | 1,2-Benzisothiazole, 5-(4-isocyanatophenoxy)-
CAS No: 89721-68-6 Catalog No: AG0042AS MDL No:
Product Description
Catalog Number:
AG0042AS
Chemical Name:
1,2-Benzisothiazole, 5-(4-isocyanatophenoxy)-
CAS Number:
89721-68-6
Molecular Formula:
C14H8N2O2S
Molecular Weight:
268.2905
IUPAC Name:
5-(4-isocyanatophenoxy)-1,2-benzothiazole
InChI:
InChI=1S/C14H8N2O2S/c17-9-15-11-1-3-12(4-2-11)18-13-5-6-14-10(7-13)8-16-19-14/h1-8H
InChI Key:
SFVLZCGIDWXXEG-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Oc1ccc2c(c1)cns2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.29g/mol
Monoisotopic Mass:
268.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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