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69243-49-8 | 1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol
CAS No: 69243-49-8 Catalog No: AG005WLF MDL No:
Product Description
Catalog Number:
AG005WLF
Chemical Name:
1,2,4-Triazolo(3,4-b)benzothiazole-5-methanol
CAS Number:
69243-49-8
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
[1,2,4]triazolo[3,4-b][1,3]benzothiazol-8-ylmethanol
InChI:
InChI=1S/C9H7N3OS/c13-4-6-2-1-3-7-8(6)12-5-10-11-9(12)14-7/h1-3,5,13H,4H2
InChI Key:
QHFZNYBHZQCEOU-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1n1cnnc1s2
UNII:
48LP1TV40F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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