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119097-43-7 | Dibenzo[b,e][1,4]dioxin, 1,2,4-tribromo-3-chloro-
CAS No: 119097-43-7 Catalog No: AG000I5Z MDL No:
Product Description
Catalog Number:
AG000I5Z
Chemical Name:
Dibenzo[b,e][1,4]dioxin, 1,2,4-tribromo-3-chloro-
CAS Number:
119097-43-7
Molecular Formula:
C12H4Br3ClO2
Molecular Weight:
455.3240
IUPAC Name:
1,2,4-tribromo-3-chlorodibenzo-p-dioxin
InChI:
InChI=1S/C12H4Br3ClO2/c13-7-8(14)11-12(9(15)10(7)16)18-6-4-2-1-3-5(6)17-11/h1-4H
InChI Key:
QDLHPFWKAXZMGZ-UHFFFAOYSA-N
SMILES:
Brc1c2Oc3ccccc3Oc2c(c(c1Br)Cl)Br
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.743g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.324g/mol
Monoisotopic Mass:
451.745g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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