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921765-42-6

921765-42-6 | Benzenamine, 5-(2-benzothiazolyl)-2-(trifluoromethoxy)-

CAS No: 921765-42-6 Catalog No: AG006GP7 MDL No:

Product Description

Catalog Number:
AG006GP7
Chemical Name:
Benzenamine, 5-(2-benzothiazolyl)-2-(trifluoromethoxy)-
CAS Number:
921765-42-6
Molecular Formula:
C14H9F3N2OS
Molecular Weight:
310.2943
IUPAC Name:
5-(1,3-benzothiazol-2-yl)-2-(trifluoromethoxy)aniline
InChI:
InChI=1S/C14H9F3N2OS/c15-14(16,17)20-11-6-5-8(7-9(11)18)13-19-10-3-1-2-4-12(10)21-13/h1-7H,18H2
InChI Key:
RZUUSLVMVKMAIO-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1OC(F)(F)F)c1nc2c(s1)cccc2

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:
4.8  

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