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4-Bromo-2-ethylpyridine

CAT: 0127-OR74125-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR74125-01Size:100 mg
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CAS Number
156761-88-5
MDL Number
MFCD11223216
Purity
97%
Smiles
CCC1=NC=CC(=C1)Br

Chemical Information

4-Bromo-2-ethylpyridine
CAS Number156761-88-5
PubChem CID22317463
IUPAC Name4-bromo-2-ethylpyridine
Molecular FormulaC7H8BrN
Molecular Weight186.05
XLogP2.3
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CCC1=NC=CC(=C1)Br
InChI
InChI=1S/C7H8BrN/c1-2-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3
InChIKey
TVRGNBFSOZCSSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-ethylpyridine
CAS: 156761-88-5
CID: 22317463
Formula: C7H8BrN
MW: 186.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.05
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass184.98401
Monoisotopic Mass184.98401
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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