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5-bromo-4-fluoropicolinaldehyde

CAT: 0127-PC1010186-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010186-01Size:250 mg
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CAS Number
1289011-80-8
MDL Number
MFCD28738796
Purity
97%
Smiles
C (=O) c1cc (F) c (Br) cn1

Chemical Information

5-Bromo-4-fluoropicolinaldehyde
CAS Number1289011-80-8
PubChem CID124081947
IUPAC Name5-bromo-4-fluoropyridine-2-carbaldehyde
Molecular FormulaC6H3BrFNO
Molecular Weight204.00
XLogP1.4
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=C(N=CC(=C1F)Br)C=O
InChI
InChI=1S/C6H3BrFNO/c7-5-2-9-4(3-10)1-6(5)8/h1-3H
InChIKey
SAMGAZPNOAMJGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-4-fluoropicolinaldehyde
CAS: 1289011-80-8
CID: 124081947
Formula: C6H3BrFNO
MW: 204.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.00
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass202.93820
Monoisotopic Mass202.93820
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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