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24949-30-2 | Phenol, 2-bromo-5-(2,4-dibromophenoxy)-
CAS No: 24949-30-2 Catalog No: AG002PXU MDL No:
Product Description
Catalog Number:
AG002PXU
Chemical Name:
Phenol, 2-bromo-5-(2,4-dibromophenoxy)-
CAS Number:
24949-30-2
Molecular Formula:
C12H7Br3O2
Molecular Weight:
422.8948
IUPAC Name:
2-bromo-5-(2,4-dibromophenoxy)phenol
InChI:
InChI=1S/C12H7Br3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-9(14)11(16)6-8/h1-6,16H
InChI Key:
NATAVEHSIYVLEC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)Oc1ccc(c(c1)O)Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.798g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.898g/mol
Monoisotopic Mass:
419.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Identification of hydroxylated metabolites in 2,2',4,4'-tetrabromodiphenyl ether exposed rats. | Chemosphere 20060401 |
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