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2-Bromo-6-propoxypyridine

CAT: 0024-sc-321625Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-321625Size:1 g
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CAS Number
891842-82-3

Chemical Information

2-Bromo-6-propoxypyridine
CAS Number891842-82-3
PubChem CID23557398
IUPAC Name2-bromo-6-propoxypyridine
Molecular FormulaC8H10BrNO
Molecular Weight216.07
XLogP3.1
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
CCCOC1=NC(=CC=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-2-6-11-8-5-3-4-7(9)10-8/h3-5H,2,6H2,1H3
InChIKey
JROFSFBGPCHTHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-propoxypyridine
CAS: 891842-82-3
CID: 23557398
Formula: C8H10BrNO
MW: 216.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.07
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.99458
Monoisotopic Mass214.99458
Topological Polar Surface Area22.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity110
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