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1190311-71-7 | 2(3H)-Benzothiazolone, 6-chloro-4-(trifluoromethyl)-
CAS No: 1190311-71-7 Catalog No: AG000HIA MDL No:
Product Description
Catalog Number:
AG000HIA
Chemical Name:
2(3H)-Benzothiazolone, 6-chloro-4-(trifluoromethyl)-
CAS Number:
1190311-71-7
Molecular Formula:
C8H3ClF3NOS
Molecular Weight:
253.6287
IUPAC Name:
6-chloro-4-(trifluoromethyl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H3ClF3NOS/c9-3-1-4(8(10,11)12)6-5(2-3)15-7(14)13-6/h1-2H,(H,13,14)
InChI Key:
MLDHLNIWMXPUIA-UHFFFAOYSA-N
SMILES:
Clc1cc2sc(=O)[nH]c2c(c1)C(F)(F)F
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.623g/mol
Monoisotopic Mass:
252.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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