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1,3-Bis(4-bromophenoxy)propane

CAT: 0572-TRC-B400057-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B400057-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3722-66-5
Hazard Statement
No Data Available
Smiles
Brc1ccc(OCCCOc2ccc(Br)cc2)cc1
Molecular Formula
C15 H14 Br2 O2
Molecular Weight
386.079
InChI
InChI=1S/C15H14Br2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
Additionnal Information
IUPAC name: 1-bromo-4-[3-(4-bromophenoxy)propoxy]benzene
Shipping Conditions
Room Temperature

Chemical Information

1,1'-[Propane-1,3-diylbis(oxy)]bis(4-bromobenzene)
CAS Number3722-66-5
PubChem CID222473
IUPAC Name1-bromo-4-[3-(4-bromophenoxy)propoxy]benzene
Molecular FormulaC15H14Br2O2
Molecular Weight386.08
XLogP5.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity210
SMILES
C1=CC(=CC=C1OCCCOC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H14Br2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
InChIKey
QUDGXGCMYCARCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-[Propane-1,3-diylbis(oxy)]bis(4-bromobenzene)
CAS: 3722-66-5
CID: 222473
Formula: C15H14Br2O2
MW: 386.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.08
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass385.93401
Monoisotopic Mass383.93605
Topological Polar Surface Area18.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity210
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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OR10044943- (4-Bromophenoxy) propane-1,2-diol
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OR1009168-011,3-Bis (2,4-diaminophenoxy) propane
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