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271-61-4 | 1,2-Benzisothiazole
CAS No: 271-61-4 Catalog No: AG01E76W MDL No:
Product Description
Catalog Number:
AG01E76W
Chemical Name:
1,2-Benzisothiazole
CAS Number:
271-61-4
IUPAC Name:
1,2-benzothiazole
InChI:
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChI Key:
CSNIZNHTOVFARY-UHFFFAOYSA-N
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.184g/mol
Monoisotopic Mass:
135.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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