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832081-68-2 | 2-Quinoxalinamine, 3-(2-thienyl)-N-[3-(trifluoromethyl)phenyl]-
CAS No: 832081-68-2 Catalog No: AG004VF3 MDL No:
Product Description
Catalog Number:
AG004VF3
Chemical Name:
2-Quinoxalinamine, 3-(2-thienyl)-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
832081-68-2
Molecular Formula:
C19H12F3N3S
Molecular Weight:
371.3789
IUPAC Name:
3-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
InChI:
InChI=1S/C19H12F3N3S/c20-19(21,22)12-5-3-6-13(11-12)23-18-17(16-9-4-10-26-16)24-14-7-1-2-8-15(14)25-18/h1-11H,(H,23,25)
InChI Key:
GZXSOTQGCMKERD-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)Nc1nc2ccccc2nc1c1cccs1)(F)F
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.07g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.381g/mol
Monoisotopic Mass:
371.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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