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403715-77-5 | 2H-Pyrrolo[3,4-e]benzothiazole(9CI)
CAS No: 403715-77-5 Catalog No: AG00CY0F MDL No:
Product Description
Catalog Number:
AG00CY0F
Chemical Name:
2H-Pyrrolo[3,4-e]benzothiazole(9CI)
CAS Number:
403715-77-5
IUPAC Name:
2H-pyrrolo[3,4-e][1,3]benzothiazole
InChI:
InChI=1S/C9H6N2S/c1-2-8-9(11-5-12-8)7-4-10-3-6(1)7/h1-4H,5H2
InChI Key:
GXSGJLUAIAVMAB-UHFFFAOYSA-N
Properties
Complexity:
397
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:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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