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23079-39-2 | Dibenzo[d,f][1,3,2]dioxaphosphepin, 2,4,8,10-tetrabromo-6-hydroxy-, 6-oxide
CAS No: 23079-39-2 Catalog No: AG002M4Z MDL No:
Product Description
Catalog Number:
AG002M4Z
Chemical Name:
Dibenzo[d,f][1,3,2]dioxaphosphepin, 2,4,8,10-tetrabromo-6-hydroxy-, 6-oxide
CAS Number:
23079-39-2
Molecular Formula:
C12H5Br4O4P
Molecular Weight:
563.7555
IUPAC Name:
2,4,8,10-tetrabromo-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
InChI:
InChI=1S/C12H5Br4O4P/c13-5-1-7-8-2-6(14)4-10(16)12(8)20-21(17,18)19-11(7)9(15)3-5/h1-4H,(H,17,18)
InChI Key:
IDNDPKSRNHNNBT-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c1cc(Br)cc(c1OP(=O)(O2)O)Br
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.662g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
563.758g/mol
Monoisotopic Mass:
559.666g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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