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662111-32-2 | 2(3H)-Benzothiazolone,7-acetyl-4-methoxy-(9CI)
CAS No: 662111-32-2 Catalog No: AG00FR20 MDL No:
Product Description
Catalog Number:
AG00FR20
Chemical Name:
2(3H)-Benzothiazolone,7-acetyl-4-methoxy-(9CI)
CAS Number:
662111-32-2
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
7-acetyl-4-methoxy-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H9NO3S/c1-5(12)6-3-4-7(14-2)8-9(6)15-10(13)11-8/h3-4H,1-2H3,(H,11,13)
InChI Key:
GLXAKGKKKOJERU-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]c(=O)s2)C(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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