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80689-19-6 | 2(3H)-Benzothiazolone,7-methyl-(9CI)
CAS No: 80689-19-6 Catalog No: AG00GQVI MDL No:MFCD09749254
Product Description
Catalog Number:
AG00GQVI
Chemical Name:
2(3H)-Benzothiazolone,7-methyl-(9CI)
CAS Number:
80689-19-6
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD09749254
IUPAC Name:
7-methyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NOS/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
CPCWRGPJUDZREC-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)cccc2C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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