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2-Bromo-6-cyclobutoxypyridine

CAT: 0127-OR1064635-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1064635-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
891842-80-1
MDL Number
MFCD09878962
Purity
95%
Smiles
BrC1=NC(OC2CCC2)=CC=C1

Chemical Information

2-Bromo-6-cyclobutoxypyridine
CAS Number891842-80-1
PubChem CID45787527
IUPAC Name2-bromo-6-cyclobutyloxypyridine
Molecular FormulaC9H10BrNO
Molecular Weight228.09
XLogP3.1
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
C1CC(C1)OC2=NC(=CC=C2)Br
InChI
InChI=1S/C9H10BrNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKey
KBBNPYQELNBTGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-cyclobutoxypyridine
CAS: 891842-80-1
CID: 45787527
Formula: C9H10BrNO
MW: 228.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.09
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.99458
Monoisotopic Mass226.99458
Topological Polar Surface Area22.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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

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