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4-Bromo-1-butene

CAT: 0572-TRC-B681845-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B681845-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5162-44-7
Synonyms
1-Bromo-3-butene; 3-Butenyl bromide; 4-Bromobutene-1; Allylcarbinyl Bromide; Homoallyl Bromide;
Hazard Statement
No Data Available
Smiles
BrCCC=C
Molecular Formula
C4H7Br
Molecular Weight
135
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Homoallyl bromide
CAS Number5162-44-7
PubChem CID21241
IUPAC Name4-bromobut-1-ene
Molecular FormulaC4H7Br
Molecular Weight135.00
XLogP2.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity24
SMILES
C=CCCBr
InChI
InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
InChIKey
DMAYBPBPEUFIHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homoallyl bromide
CAS: 5162-44-7
CID: 21241
Formula: C4H7Br
MW: 135.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight135.00
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass133.97311
Monoisotopic Mass133.97311
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity24.8
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