Home Other Building Blocks 6-TRIFLUOROMETHYLBENZOTHIAZOLE

6-TRIFLUOROMETHYLBENZOTHIAZOLE

CAS No.:
131106-70-2
Catalog Number:
AG009C42
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
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Product Description
Catalog Number:
AG009C42
Chemical Name:
6-TRIFLUOROMETHYLBENZOTHIAZOLE
CAS Number:
131106-70-2
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD06659653
IUPAC Name:
6-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H
InChI Key:
BULNNISVPSQIFO-UHFFFAOYSA-N
SMILES:
N=c1[nH]c2c(s1)cc(cc2)C(F)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.002g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.182g/mol
Monoisotopic Mass:
203.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties