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102729-42-0 | Quinoxaline, 2-phenyl-7-(trifluoromethyl)-
CAS No: 102729-42-0 Catalog No: AG000883 MDL No:
Product Description
Catalog Number:
AG000883
Chemical Name:
Quinoxaline, 2-phenyl-7-(trifluoromethyl)-
CAS Number:
102729-42-0
Molecular Formula:
C15H9F3N2
Molecular Weight:
274.2406
IUPAC Name:
2-phenyl-7-(trifluoromethyl)quinoxaline
InChI:
InChI=1S/C15H9F3N2/c16-15(17,18)11-6-7-12-13(8-11)20-14(9-19-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
AUXRHQAIXXUFRR-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)nc(cn2)c1ccccc1)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.246g/mol
Monoisotopic Mass:
274.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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