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23420-88-4 | Benzothiazole, 2-chloro-5-(trifluoromethyl)-
CAS No: 23420-88-4 Catalog No: AG002N6K MDL No:MFCD09749242
Product Description
Catalog Number:
AG002N6K
Chemical Name:
Benzothiazole, 2-chloro-5-(trifluoromethyl)-
CAS Number:
23420-88-4
Molecular Formula:
C8H3ClF3NS
Molecular Weight:
237.6293
MDL Number:
MFCD09749242
IUPAC Name:
2-chloro-5-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H3ClF3NS/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H
InChI Key:
KMHYDRGLBQZDAE-UHFFFAOYSA-N
SMILES:
Clc1sc2c(n1)cc(cc2)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:
4.2
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