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82291-38-1 | 1,2,4,8,9-PENTACHLORODIBENZODIOXIN
CAS No: 82291-38-1 Catalog No: AG0055Z5 MDL No:
Product Description
Catalog Number:
AG0055Z5
Chemical Name:
1,2,4,8,9-PENTACHLORODIBENZODIOXIN
CAS Number:
82291-38-1
Molecular Formula:
C12H3Cl5O2
Molecular Weight:
356.4160
IUPAC Name:
1,2,4,8,9-pentachlorodibenzo-p-dioxin
InChI:
InChI=1S/C12H3Cl5O2/c13-4-1-2-7-11(8(4)16)19-12-9(17)5(14)3-6(15)10(12)18-7/h1-3H
InChI Key:
KLLFLRKEOJCTGC-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)ccc2c1Oc1c(Cl)c(Cl)cc(c1O2)Cl
UNII:
LKB2VLW475
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.855g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.404g/mol
Monoisotopic Mass:
353.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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