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100445-18-9 | 2(3H)-Benzothiazolone,3,6-dimethyl-(9CI)
CAS No: 100445-18-9 Catalog No: AG009PAY MDL No:
Product Description
Catalog Number:
AG009PAY
Chemical Name:
2(3H)-Benzothiazolone,3,6-dimethyl-(9CI)
CAS Number:
100445-18-9
IUPAC Name:
3,6-dimethyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H9NOS/c1-6-3-4-7-8(5-6)12-9(11)10(7)2/h3-5H,1-2H3
InChI Key:
GORRQCDPRZIXNC-UHFFFAOYSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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