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4-Bromo-4'-methylstilbene

CAT: 0572-TRC-B687815-750MGSize: 750 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687815-750MGSize:750 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62856-31-9
Synonyms
1-Bromo-4-[2-(4-methylphenyl)ethenyl]benzene; 1-Bromo-4-(4-methylstyryl)benzene
Hazard Statement
No Data Available
Smiles
BrC1=CC=C(/C=C/C2=CC=C(C)C=C2)C=C1
Molecular Formula
C15H13Br
Molecular Weight
273.17
InChI
InChI=1S/C15H13Br/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-11H,1H3/b7-6+
Additionnal Information
IUPAC name: (E)-1-bromo-4-(4-methylstyryl)benzene
Shipping Conditions
Room Temperature

Chemical Information

1-Bromo-4-[2-(4-methylphenyl)ethenyl]benzene
CAS Number62856-31-9
PubChem CID53739401
IUPAC Name1-bromo-4-[2-(4-methylphenyl)ethenyl]benzene
Molecular FormulaC15H13Br
Molecular Weight273.17
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity218
SMILES
CC1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H13Br/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-11H,1H3
InChIKey
CTMYIJULQXZVJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-4-[2-(4-methylphenyl)ethenyl]benzene
CAS: 62856-31-9
CID: 53739401
Formula: C15H13Br
MW: 273.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.17
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass272.02006
Monoisotopic Mass272.02006
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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