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133688-82-1 | 6-Benzothiazolol,2-(1H-pyrrol-2-yl)-(9CI)
CAS No: 133688-82-1 Catalog No: AG00A3PE MDL No:
Product Description
Catalog Number:
AG00A3PE
Chemical Name:
6-Benzothiazolol,2-(1H-pyrrol-2-yl)-(9CI)
CAS Number:
133688-82-1
IUPAC Name:
2-(1H-pyrrol-2-yl)-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C11H8N2OS/c14-7-3-4-8-10(6-7)15-11(13-8)9-2-1-5-12-9/h1-6,12,14H
InChI Key:
GJFIHENNCXXSAT-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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