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1240621-90-2 | Quinoxaline, 6-bromo-2-(trifluoromethyl)-
CAS No: 1240621-90-2 Catalog No: AG000LIM MDL No:
Product Description
Catalog Number:
AG000LIM
Chemical Name:
Quinoxaline, 6-bromo-2-(trifluoromethyl)-
CAS Number:
1240621-90-2
Molecular Formula:
C9H4BrF3N2
Molecular Weight:
277.0407
IUPAC Name:
6-bromo-2-(trifluoromethyl)quinoxaline
InChI:
InChI=1S/C9H4BrF3N2/c10-5-1-2-6-7(3-5)14-4-8(15-6)9(11,12)13/h1-4H
InChI Key:
YTNATWXMWOYRIF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ncc(n2)C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.951g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.044g/mol
Monoisotopic Mass:
275.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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