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4-bromo-2-(2,4-dibromophenoxy)-Phenol

CAT: 0572-TRC-B934980-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B934980-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1622183-95-2
Hazard Statement
No Data Available
Smiles
Oc1ccc(Br)cc1Oc2ccc(Br)cc2Br
Molecular Formula
C12 H7 Br3 O2
Molecular Weight
422.895
InChI
InChI=1S/C12H7Br3O2/c13-7-2-4-11(9(15)5-7)17-12-6-8(14)1-3-10(12)16/h1-6,16H
Additionnal Information
IUPAC name: 4-bromo-2-(2,4-dibromophenoxy)phenol
Shipping Conditions
Room Temperature

Chemical Information

4-bromo-2-(2,4-dibromophenoxy)-Phenol
CAS Number1622183-95-2
PubChem CID169435451
IUPAC Name4-bromo-2-(2,4-dibromophenoxy)phenol
Molecular FormulaC12H7Br3O2
Molecular Weight422.89
XLogP5.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity252
SMILES
C1=CC(=C(C=C1Br)OC2=C(C=C(C=C2)Br)Br)O
InChI
InChI=1S/C12H7Br3O2/c13-7-2-4-11(9(15)5-7)17-12-6-8(14)1-3-10(12)16/h1-6,16H
InChIKey
IJILTEHAPUZZFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-bromo-2-(2,4-dibromophenoxy)-Phenol
CAS: 1622183-95-2
CID: 169435451
Formula: C12H7Br3O2
MW: 422.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.89
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass421.79757
Monoisotopic Mass419.79962
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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