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80246-32-8 | Phenol, 2,4-dibromo-6-(2,4-dibromophenoxy)-, acetate
CAS No: 80246-32-8 Catalog No: AG005C9K MDL No:
Product Description
Catalog Number:
AG005C9K
Chemical Name:
Phenol, 2,4-dibromo-6-(2,4-dibromophenoxy)-, acetate
CAS Number:
80246-32-8
Molecular Formula:
C14H10Br4O4
Molecular Weight:
561.8428
IUPAC Name:
acetic acid;2,4-dibromo-6-(2,4-dibromophenoxy)phenol
InChI:
InChI=1S/C12H6Br4O2.C2H4O2/c13-6-1-2-10(8(15)3-6)18-11-5-7(14)4-9(16)12(11)17;1-2(3)4/h1-5,17H;1H3,(H,3,4)
InChI Key:
BDRCAZNRNXNVLO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)Oc1cc(Br)cc(c1O)Br.CC(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.727g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
561.846g/mol
Monoisotopic Mass:
557.731g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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