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5-Bromo-2-ethoxynicotinaldehyde

CAT: 0127-OR1081448Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1242070-94-5
MDL Number
MFCD17011988
Smiles
C1 (cnc (c (c1) C=O) OCC) Br

Chemical Information

5-Bromo-2-ethoxynicotinaldehyde
CAS Number1242070-94-5
PubChem CID73553493
IUPAC Name5-bromo-2-ethoxypyridine-3-carbaldehyde
Molecular FormulaC8H8BrNO2
Molecular Weight230.06
XLogP1.7
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCOC1=C(C=C(C=N1)Br)C=O
InChI
InChI=1S/C8H8BrNO2/c1-2-12-8-6(5-11)3-7(9)4-10-8/h3-5H,2H2,1H3
InChIKey
IWFFRHAMYDGMIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-ethoxynicotinaldehyde
CAS: 1242070-94-5
CID: 73553493
Formula: C8H8BrNO2
MW: 230.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.06
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass228.97384
Monoisotopic Mass228.97384
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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