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1190311-79-5 | Benzothiazole, 6-chloro-4-(trifluoromethyl)-
CAS No: 1190311-79-5 Catalog No: AG000HI6 MDL No:
Product Description
Catalog Number:
AG000HI6
Chemical Name:
Benzothiazole, 6-chloro-4-(trifluoromethyl)-
CAS Number:
1190311-79-5
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
IUPAC Name:
6-chloro-4-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H3ClF3NS/c9-4-1-5(8(10,11)12)7-6(2-4)14-3-13-7/h1-3H
InChI Key:
KIGOXKFMQRSWIY-UHFFFAOYSA-N
SMILES:
Clc1cc2scnc2c(c1)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:
236.963g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.624g/mol
Monoisotopic Mass:
236.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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