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CAT: 0926-XJB20112-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XJB20112-02Size:50 mg
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CAS Number
872201-12-2
MDL Number
MFCD11045294
Smiles
C1=CC (=CC=C1/C=C/C2=CC (=C (C=C2) /C=C/C3=CC=C (C=C3) O) Br) O
Molecular Formula
C22H17BrO2
Molecular Weight
393.27 g/mol
Controlled
No

Chemical Information

(Trans,trans)-1-bromo-2,5-bis(4-hydroxystyryl)benzene

(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene is an organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups. It has a role as a fluorescent dye. It is a polyphenol and an organobromine compound.

CAS Number872201-12-2
PubChem CID44828481
IUPAC Name4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
Molecular FormulaC22H17BrO2
Molecular Weight393.3
XLogP6.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity445
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)O)Br)O
InChI
InChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+
InChIKey
OXPHQQMZTXMEGO-RJTULKDBSA-N
Chemical Structure
2D Structure
2D structure of (Trans,trans)-1-bromo-2,5-bis(4-hydroxystyryl)benzene
CAS: 872201-12-2
CID: 44828481
Formula: C22H17BrO2
MW: 393.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.3
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass392.04119
Monoisotopic Mass392.04119
Topological Polar Surface Area40.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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