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23808-63-1 | Benzothiazole, 6-methoxy-2-methyl-, 3-oxide (8CI)
CAS No: 23808-63-1 Catalog No: AG00BLNB MDL No:
Product Description
Catalog Number:
AG00BLNB
Chemical Name:
Benzothiazole, 6-methoxy-2-methyl-, 3-oxide (8CI)
CAS Number:
23808-63-1
IUPAC Name:
6-methoxy-2-methyl-3-oxido-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C9H9NO2S/c1-6-10(11)8-4-3-7(12-2)5-9(8)13-6/h3-5H,1-2H3
InChI Key:
PGEYNANVYZRRAZ-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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