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89721-72-2 | Benzenamine, 4-(1,2-benzisothiazol-5-yloxy)-3-(trifluoromethyl)-
CAS No: 89721-72-2 Catalog No: AG0042AR MDL No:
Product Description
Catalog Number:
AG0042AR
Chemical Name:
Benzenamine, 4-(1,2-benzisothiazol-5-yloxy)-3-(trifluoromethyl)-
CAS Number:
89721-72-2
Molecular Formula:
C14H9F3N2OS
Molecular Weight:
310.2943
IUPAC Name:
4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C14H9F3N2OS/c15-14(16,17)11-6-9(18)1-3-12(11)20-10-2-4-13-8(5-10)7-19-21-13/h1-7H,18H2
InChI Key:
VMQXZAJTIXYBEL-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(F)(F)F)Oc1ccc2c(c1)cns2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.294g/mol
Monoisotopic Mass:
310.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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