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133044-44-7 | 2(3H)-Benzothiazolone, 6-acetyl-
CAS No: 133044-44-7 Catalog No: AG0011KI MDL No:MFCD02660572
Product Description
Catalog Number:
AG0011KI
Chemical Name:
2(3H)-Benzothiazolone, 6-acetyl-
CAS Number:
133044-44-7
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD02660572
IUPAC Name:
6-acetyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)
InChI Key:
UFRAIEFXNRTICG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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