Home Other Building Blocks [6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol

[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol

CAS No.:
1540617-68-2
Catalog Number:
AG01EMPM
Molecular Formula:
C9H6F3NOS
Molecular Weight:
233.2102
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Product Description
Catalog Number:
AG01EMPM
Chemical Name:
[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol
CAS Number:
1540617-68-2
Molecular Formula:
C9H6F3NOS
Molecular Weight:
233.2102
MDL Number:
MFCD26679571
IUPAC Name:
[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanol
InChI:
InChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-6-7(3-5)15-8(4-14)13-6/h1-3,14H,4H2
InChI Key:
LZJPLKUVZZBKQF-UHFFFAOYSA-N
SMILES:
OCc1nc2c(s1)cc(cc2)C(F)(F)F
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.208g/mol
Monoisotopic Mass:
233.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties