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782471-80-1 | 2,3-Dibromo-7,8-dihydrodioxino-dibenzodioxin
CAS No: 782471-80-1 Catalog No: AG005CGS MDL No:MFCD06656544
Product Description
Catalog Number:
AG005CGS
Chemical Name:
2,3-Dibromo-7,8-dihydrodioxino-dibenzodioxin
CAS Number:
782471-80-1
Molecular Formula:
C14H8Br2O4
Molecular Weight:
400.0189
MDL Number:
MFCD06656544
IUPAC Name:
8,9-dibromo-2,3-dihydro-[1,4]dioxino[2,3-b]oxanthrene
InChI:
InChI=1S/C14H8Br2O4/c15-7-3-11-12(4-8(7)16)20-14-6-10-9(5-13(14)19-11)17-1-2-18-10/h3-6H,1-2H2
InChI Key:
IHIJYSGTZHAVKH-UHFFFAOYSA-N
SMILES:
Brc1cc2Oc3cc4OCCOc4cc3Oc2cc1Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.877g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.022g/mol
Monoisotopic Mass:
397.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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