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Home > Bromides > 1319039-31-0
1319039-31-0 | Quinoxaline, 6-bromo-3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethynyl]-
CAS No: 1319039-31-0 Catalog No: AG000ZVZ MDL No:
Product Description
Catalog Number:
AG000ZVZ
Chemical Name:
Quinoxaline, 6-bromo-3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethynyl]-
CAS Number:
1319039-31-0
Molecular Formula:
C24H17BrN2
Molecular Weight:
413.3092
IUPAC Name:
6-bromo-3-(4-methylphenyl)-2-[2-(4-methylphenyl)ethynyl]quinoxaline
InChI:
InChI=1S/C24H17BrN2/c1-16-3-7-18(8-4-16)9-13-22-24(19-10-5-17(2)6-11-19)27-23-15-20(25)12-14-21(23)26-22/h3-8,10-12,14-15H,1-2H3
InChI Key:
ROMLCMXFOPGAMP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C#Cc1nc2ccc(cc2nc1c1ccc(cc1)C)Br
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.058g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.318g/mol
Monoisotopic Mass:
412.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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