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124728-12-7 | Dibenzo[b,e][1,4]dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro-
CAS No: 124728-12-7 Catalog No: AG000MOD MDL No:
Product Description
Catalog Number:
AG000MOD
Chemical Name:
Dibenzo[b,e][1,4]dioxin, 1,2,3,4-tetrabromo-6,7,8,9-tetrachloro-
CAS Number:
124728-12-7
Molecular Formula:
C12Br4Cl4O2
Molecular Weight:
637.5552
IUPAC Name:
1,2,3,4-tetrabromo-6,7,8,9-tetrachlorodibenzo-p-dioxin
InChI:
InChI=1S/C12Br4Cl4O2/c13-1-2(14)4(16)10-9(3(1)15)21-11-7(19)5(17)6(18)8(20)12(11)22-10
InChI Key:
VBGNBGIHHNGHHW-UHFFFAOYSA-N
SMILES:
Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Br)c(c(c3Br)Br)Br
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
637.532g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
637.546g/mol
Monoisotopic Mass:
631.539g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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