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Home > Bromides > 1416047-44-3
1416047-44-3 | Quinoxaline, 5,8-bis(5-bromo-2-thienyl)-6,7-difluoro-2,3-bis[3-(hexyloxy)phenyl]-
CAS No: 1416047-44-3 Catalog No: AG001GNX MDL No:
Product Description
Catalog Number:
AG001GNX
Chemical Name:
Quinoxaline, 5,8-bis(5-bromo-2-thienyl)-6,7-difluoro-2,3-bis[3-(hexyloxy)phenyl]-
CAS Number:
1416047-44-3
Molecular Formula:
C40H38Br2F2N2O2S2
Molecular Weight:
840.6767
IUPAC Name:
5,8-bis(5-bromothiophen-2-yl)-6,7-difluoro-2,3-bis(3-hexoxyphenyl)quinoxaline
InChI:
InChI=1S/C40H38Br2F2N2O2S2/c1-3-5-7-9-21-47-27-15-11-13-25(23-27)37-38(26-14-12-16-28(24-26)48-22-10-8-6-4-2)46-40-34(30-18-20-32(42)50-30)36(44)35(43)33(39(40)45-37)29-17-19-31(41)49-29/h11-20,23-24H,3-10,21-22H2,1-2H3
InChI Key:
LHZOONDTPDMAQE-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cccc(c1)c1nc2c(c3ccc(s3)Br)c(F)c(c(c2nc1c1cccc(c1)OCCCCCC)c1ccc(s1)Br)F
Properties
Complexity:
933
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
840.069g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
840.681g/mol
Monoisotopic Mass:
838.071g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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