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3-Bromopyrrolidine hydrobromide

CAT: 0572-TRC-B687473-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687473-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1262769-75-4
Hazard Statement
No Data Available
Smiles
C1CNCC1Br.Br
Molecular Formula
C4H9Br2N
Molecular Weight
230.93
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Bromopyrrolidine--hydrogen bromide (1/1)
CAS Number1262769-75-4
PubChem CID66570691
IUPAC Name3-bromopyrrolidine;hydrobromide
Molecular FormulaC4H9Br2N
Molecular Weight230.93
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity46
SMILES
C1CNCC1Br.Br
InChI
InChI=1S/C4H8BrN.BrH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
InChIKey
ZSDJSWROXIUGAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromopyrrolidine--hydrogen bromide (1/1)
CAS: 1262769-75-4
CID: 66570691
Formula: C4H9Br2N
MW: 230.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass230.90813
Monoisotopic Mass228.91017
Topological Polar Surface Area12 Ų
Heavy Atom Count7
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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