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3-Bromo-azetidine Hydrobromide

CAT: 0572-TRC-B993625-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B993625-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
229496-83-7
Hazard Statement
No Data Available
Smiles
Br.BrC1CNC1
Molecular Formula
C3 H6 Br N . HBr
Molecular Weight
216.902
InChI
InChI=1S/C3H6BrN.BrH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
Additionnal Information
IUPAC name: 3-bromoazetidine;hydrobromide
Shipping Conditions
Room Temperature

Chemical Information

3-Bromoazetidine hydrobromide
CAS Number229496-83-7
PubChem CID49835890
IUPAC Name3-bromoazetidine;hydrobromide
Molecular FormulaC3H7Br2N
Molecular Weight216.90
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity33
SMILES
C1C(CN1)Br.Br
InChI
InChI=1S/C3H6BrN.BrH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
InChIKey
PNAVPWMUBZKKCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromoazetidine hydrobromide
CAS: 229496-83-7
CID: 49835890
Formula: C3H7Br2N
MW: 216.90
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass216.89247
Monoisotopic Mass214.89452
Topological Polar Surface Area12 Ų
Heavy Atom Count6
Formal Charge0
Complexity33.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes