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Home > Fluorides > 138452-91-2
138452-91-2 | 6-Quinoxalinecarboxamide, 2,3-dichloro-N-(2,2,2-trifluoroethyl)-
CAS No: 138452-91-2 Catalog No: AG001969 MDL No:
Product Description
Catalog Number:
AG001969
Chemical Name:
6-Quinoxalinecarboxamide, 2,3-dichloro-N-(2,2,2-trifluoroethyl)-
CAS Number:
138452-91-2
Molecular Formula:
C11H6Cl2F3N3O
Molecular Weight:
324.0860
IUPAC Name:
2,3-dichloro-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
InChI:
InChI=1S/C11H6Cl2F3N3O/c12-8-9(13)19-7-3-5(1-2-6(7)18-8)10(20)17-4-11(14,15)16/h1-3H,4H2,(H,17,20)
InChI Key:
XOLRXOZPSPTSRL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)nc(c(n2)Cl)Cl)NCC(F)(F)F
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.084g/mol
Monoisotopic Mass:
322.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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