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94087-28-2 | 2-(1,2-BENZISOTHIAZOL-3-YLOXY)ACETAMIDE
CAS No: 94087-28-2 Catalog No: AG0068UF MDL No:
Product Description
Catalog Number:
AG0068UF
Chemical Name:
2-(1,2-BENZISOTHIAZOL-3-YLOXY)ACETAMIDE
CAS Number:
94087-28-2
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
2-(1,2-benzothiazol-3-yloxy)acetamide
InChI:
InChI=1S/C9H8N2O2S/c10-8(12)5-13-9-6-3-1-2-4-7(6)14-11-9/h1-4H,5H2,(H2,10,12)
InChI Key:
RVOTWSQZXVMKPD-UHFFFAOYSA-N
SMILES:
NC(=O)COc1nsc2c1cccc2
EC Number:
301-921-3
Properties
Complexity:
225
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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