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1261545-10-1 | 7-Benzothiazolol, 2-(trifluoromethyl)-
CAS No: 1261545-10-1 Catalog No: AG000RUC MDL No:MFCD18417195
Product Description
Catalog Number:
AG000RUC
Chemical Name:
7-Benzothiazolol, 2-(trifluoromethyl)-
CAS Number:
1261545-10-1
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
MDL Number:
MFCD18417195
IUPAC Name:
2-(trifluoromethyl)-1,3-benzothiazol-7-ol
InChI:
InChI=1S/C8H4F3NOS/c9-8(10,11)7-12-4-2-1-3-5(13)6(4)14-7/h1-3,13H
InChI Key:
MLTZOSCMVFYAAB-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1sc(n2)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.181g/mol
Monoisotopic Mass:
218.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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