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3- (2-Bromoethyl) pyridine hydrobromide

CAT: 0926-RBA03991-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-RBA03991-01Size:250 mg
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CAS Number
41039-91-2
MDL Number
MFCD16988656
Smiles
C1=CC (=CN=C1) CCBr.Br
Molecular Formula
C7H9Br2N
Molecular Weight
266.96 g/mol
Controlled
No

Chemical Information

3-(2-Bromoethyl)pyridine hydrobromide
CAS Number41039-91-2
PubChem CID20204681
IUPAC Name3-(2-bromoethyl)pyridine;hydrobromide
Molecular FormulaC7H9Br2N
Molecular Weight266.96
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity75
SMILES
C1=CC(=CN=C1)CCBr.Br
InChI
InChI=1S/C7H8BrN.BrH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2;1H
InChIKey
ITVQNNGZGWJKGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Bromoethyl)pyridine hydrobromide
CAS: 41039-91-2
CID: 20204681
Formula: C7H9Br2N
MW: 266.96
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass266.90813
Monoisotopic Mass264.91017
Topological Polar Surface Area12.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity75.3
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