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222036-27-3 | 7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-(9CI)
CAS No: 222036-27-3 Catalog No: AG00BH24 MDL No:MFCD17677022
Product Description
Catalog Number:
AG00BH24
Chemical Name:
7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-(9CI)
CAS Number:
222036-27-3
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD17677022
IUPAC Name:
6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
InChI:
InChI=1S/C9H6N2OS/c12-8-3-5-6(11-8)1-2-7-9(5)13-4-10-7/h1-2,4H,3H2,(H,11,12)
InChI Key:
IMPZLDDOQIAFJH-UHFFFAOYSA-N
SMILES:
C1C(=O)Nc2c1c1scnc1cc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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