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114464-07-2 | Benzene, 1,1'-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[2,6-dichloro- (9CI)
CAS No: 114464-07-2 Catalog No: AG000EGU MDL No:
Product Description
Catalog Number:
AG000EGU
Chemical Name:
Benzene, 1,1'-[2,4-hexadiyne-1,6-diylbis(oxy)]bis[2,6-dichloro- (9CI)
CAS Number:
114464-07-2
Molecular Formula:
C18H10Cl4O2
Molecular Weight:
400.0828
IUPAC Name:
1,3-dichloro-2-[6-(2,6-dichlorophenoxy)hexa-2,4-diynoxy]benzene
InChI:
InChI=1S/C18H10Cl4O2/c19-13-7-5-8-14(20)17(13)23-11-3-1-2-4-12-24-18-15(21)9-6-10-16(18)22/h5-10H,11-12H2
InChI Key:
GAZONTSRUIUDPO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1OCC#CC#CCOc1c(Cl)cccc1Cl)Cl
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.941g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.076g/mol
Monoisotopic Mass:
397.943g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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