二·二‘·三·三’·五·六-ヘキサクロロビフェニル 52704-70-8 wiki

1.2 シノニム: 1,1'-Biphenyl, 2,2',3,3',5,6-hexachloro-; 1,2,4,5-tetrachloro-3-(2,3-dichlorophenyl)benzene; 2,2',3,3',5,6-HEXACHLOROBIPHENYL; BZNO 134; PCB NO 134;

1.6 Inchi: InChI=1S/C12H4Cl6/c13-6-3-1-2-5(10(6)16)9-11(17)7(14)4-8(15)12(9)18/h1-4H

no data available

no data available

32770-82-4

2401-21-0 72 しいれ業者

52704-70-8 11 しいれ業者

6. 前駆体と製品

上位製品:

2401-21-0

32770-82-4

7. 計算化学データ

Molecular Weight：360.87816g/mol
Molecular Formula：C₁₂H₄Cl₆
Compound Is Canonicalized：True
XLogP3-AA：359.841466
Monoisotopic Mass：357.844416
Complexity：272
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：18
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBwAAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOgAAQIACBAAQAACBAAQIACAAAAAAAAA==