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2-Bromo-5-propoxypyridine

CAT: 0127-OR1052322-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052322-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1144110-15-5
MDL Number
MFCD21099946
Purity
95%
Smiles
CCCOC1=CN=C(Br)C=C1

Chemical Information

2-Bromo-5-propoxypyridine
CAS Number1144110-15-5
PubChem CID66521396
IUPAC Name2-bromo-5-propoxypyridine
Molecular FormulaC8H10BrNO
Molecular Weight216.07
XLogP2.7
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
CCCOC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-2-5-11-7-3-4-8(9)10-6-7/h3-4,6H,2,5H2,1H3
InChIKey
WYYGEMJWLYTXMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-propoxypyridine
CAS: 1144110-15-5
CID: 66521396
Formula: C8H10BrNO
MW: 216.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.07
XLogP32.7
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

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