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76584-71-9 | 1,3,6,8-tetrabromooxanthrene
CAS No: 76584-71-9 Catalog No: AG005KC8 MDL No:
Product Description
Catalog Number:
AG005KC8
Chemical Name:
1,3,6,8-tetrabromooxanthrene
CAS Number:
76584-71-9
Molecular Formula:
C12H4Br4O2
Molecular Weight:
499.7750
IUPAC Name:
1,3,6,8-tetrabromodibenzo-p-dioxin
InChI:
InChI=1S/C12H4Br4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H
InChI Key:
FLEIILCTHUDZIV-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)Oc1c(O2)cc(cc1Br)Br
UNII:
62U837IAQ2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.69g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
499.778g/mol
Monoisotopic Mass:
495.694g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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