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3,5-Dibromostyrene

CAT: 0572-TRC-D426030-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D426030-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120359-56-0
Synonyms
1,3-Dibromo-5-vinylbenzene; 1,3-Dibromo-5-ethenylbenzene
Hazard Statement
No Data Available
Smiles
Brc1cc(Br)cc(C=C)c1
Molecular Formula
C8H6Br2
Molecular Weight
261.94
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,5-Dibromostyrene
CAS Number120359-56-0
PubChem CID18690343
IUPAC Name1,3-dibromo-5-ethenylbenzene
Molecular FormulaC8H6Br2
Molecular Weight261.94
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
C=CC1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C8H6Br2/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
InChIKey
OITDEAXLQUVPQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dibromostyrene
CAS: 120359-56-0
CID: 18690343
Formula: C8H6Br2
MW: 261.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.94
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass261.88158
Monoisotopic Mass259.88363
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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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