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881-11-8 | 3(2H)-Benzothiazoleacetamide, 2-oxo-
CAS No: 881-11-8 Catalog No: AG008CEC MDL No:
Product Description
Catalog Number:
AG008CEC
Chemical Name:
3(2H)-Benzothiazoleacetamide, 2-oxo-
CAS Number:
881-11-8
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
InChI:
InChI=1S/C9H8N2O2S/c10-8(12)5-11-6-3-1-2-4-7(6)14-9(11)13/h1-4H,5H2,(H2,10,12)
InChI Key:
MRHAAMBNOQKMMW-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1c(=O)sc2c1cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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