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102729-48-6 | Quinoxaline, 3-chloro-2-phenyl-6-(trifluoromethyl)-
CAS No: 102729-48-6 Catalog No: AG000882 MDL No:
Product Description
Catalog Number:
AG000882
Chemical Name:
Quinoxaline, 3-chloro-2-phenyl-6-(trifluoromethyl)-
CAS Number:
102729-48-6
Molecular Formula:
C15H8ClF3N2
Molecular Weight:
308.6856
IUPAC Name:
3-chloro-2-phenyl-6-(trifluoromethyl)quinoxaline
InChI:
InChI=1S/C15H8ClF3N2/c16-14-13(9-4-2-1-3-5-9)20-11-7-6-10(15(17,18)19)8-12(11)21-14/h1-8H
InChI Key:
ASZUYCGDMPECGF-UHFFFAOYSA-N
SMILES:
Clc1nc2cc(ccc2nc1c1ccccc1)C(F)(F)F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.688g/mol
Monoisotopic Mass:
308.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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