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2,3,5-Tribromo-6-(2,4-Dibromophenoxy)Phenol

PubChem CID: 21576164

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Compound Synonyms 297742-10-0, 2,3,5-Tribromo-6-(2,4-dibromophenoxy)phenol, CHEMBL402539, DTXSID40616008, Phenol, 2,3,5-tribromo-6-(2,4-dibromophenoxy)-, DTXCID10566763, BDBM50480590, NS00074050, 6-hydroxy-2,2',4,4',5-pentabromodiphenylether, 6-HYDROXY-2,2',4,4',5-PENTABDE UNLABELED 50 UG/ML IN NONANE
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 306.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q07820
Iupac Name 2,3,5-tribromo-6-(2,4-dibromophenoxy)phenol
Prediction Hob 1.0
Xlogp 6.6
Molecular Formula C12H5Br5O2
Prediction Swissadme 0.0
Inchi Key DQWSPMONGKASSJ-UHFFFAOYSA-N
Fcsp3 0.0
Logs -7.494
Rotatable Bond Count 2.0
Logd 2.702
Compound Name 2,3,5-Tribromo-6-(2,4-Dibromophenoxy)Phenol
Prediction Hob Swissadme 0.0
Exact Mass 579.617
Formal Charge 0.0
Monoisotopic Mass 575.621
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 580.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.858046421052633
Inchi InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4,18H
Smiles C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)O
Nring 2.0
Defined Bond Stereocenter Count 0.0