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122418-73-9 | Dibenzo[b,e][1,4]dioxin, 1-bromo-3,8-dichloro-
CAS No: 122418-73-9 Catalog No: AG001778 MDL No:
Product Description
Catalog Number:
AG001778
Chemical Name:
Dibenzo[b,e][1,4]dioxin, 1-bromo-3,8-dichloro-
CAS Number:
122418-73-9
Molecular Formula:
C12H5BrCl2O2
Molecular Weight:
331.9769
IUPAC Name:
1-bromo-3,8-dichlorodibenzo-p-dioxin
InChI:
InChI=1S/C12H5BrCl2O2/c13-8-3-7(15)5-11-12(8)17-10-4-6(14)1-2-9(10)16-11/h1-5H
InChI Key:
KXISDFSRMWASLH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)Oc1c(O2)cc(cc1Br)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.885g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.974g/mol
Monoisotopic Mass:
329.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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