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5-bromo-2-ethoxypyridine-4-carbaldehyde

5-bromo-2-ethoxypyridine-4-carbaldehyde

CAS: 1224604-10-7

Formula: C8H8BrNO2

SMILES: CCOC1=CC(C=O)=C(Br)C=N1

IUPAC: 5-bromo-2-ethoxypyridine-4-carbaldehyde

InChI: InChI=1S/C8H8BrNO2/c1-2-12-8-3-6(5-11)7(9)4-10-8/h3-5H,2H2,1H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.973842
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XPWVICGNSRJEJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.63
Topological Polar Surface Area 39.19
Polarizability 18.63
Ring Count 1
Rotatable Bond Count 3

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