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1190311-59-1 | Benzothiazole, 2,6-dichloro-4-(trifluoromethyl)-
CAS No: 1190311-59-1 Catalog No: AG000HIF MDL No:
Product Description
Catalog Number:
AG000HIF
Chemical Name:
Benzothiazole, 2,6-dichloro-4-(trifluoromethyl)-
CAS Number:
1190311-59-1
Molecular Formula:
C8H2Cl2F3NS
Molecular Weight:
272.0744
IUPAC Name:
2,6-dichloro-4-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H2Cl2F3NS/c9-3-1-4(8(11,12)13)6-5(2-3)15-7(10)14-6/h1-2H
InChI Key:
MHRKCVQJVSYVNX-UHFFFAOYSA-N
SMILES:
Clc1cc2sc(nc2c(c1)C(F)(F)F)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.924g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.066g/mol
Monoisotopic Mass:
270.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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