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42851-06-9 | 8H-Pyrrolo[2,3-g]benzothiazole(9CI)
CAS No: 42851-06-9 Catalog No: AG00CY3R MDL No:
Product Description
Catalog Number:
AG00CY3R
Chemical Name:
8H-Pyrrolo[2,3-g]benzothiazole(9CI)
CAS Number:
42851-06-9
IUPAC Name:
8H-pyrrolo[2,3-g][1,3]benzothiazole
InChI:
InChI=1S/C9H6N2S/c1-2-8-9(12-5-11-8)6-3-4-10-7(1)6/h1-2,4-5H,3H2
InChI Key:
GCUXYXLUBFFJLB-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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