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Home > Aldehydes > 185452-88-4
185452-88-4 | 3-Quinolinecarboxaldehyde, 6-butyl-2-fluoro-
CAS No: 185452-88-4 Catalog No: AG00775X MDL No:
Product Description
Catalog Number:
AG00775X
Chemical Name:
3-Quinolinecarboxaldehyde, 6-butyl-2-fluoro-
CAS Number:
185452-88-4
Molecular Formula:
C14H14FNO
Molecular Weight:
231.2655
IUPAC Name:
6-butyl-2-fluoroquinoline-3-carbaldehyde
InChI:
InChI=1S/C14H14FNO/c1-2-3-4-10-5-6-13-11(7-10)8-12(9-17)14(15)16-13/h5-9H,2-4H2,1H3
InChI Key:
RFQBGSLWTSZMPE-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)cc(c(n2)F)C=O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.27g/mol
Monoisotopic Mass:
231.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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