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Home > Aldehydes > 129798-05-6
129798-05-6 | 3-Quinolinecarboxaldehyde, 2-chloro-7-ethoxy-
CAS No: 129798-05-6 Catalog No: AG000TP6 MDL No:MFCD00995828
Product Description
Catalog Number:
AG000TP6
Chemical Name:
3-Quinolinecarboxaldehyde, 2-chloro-7-ethoxy-
CAS Number:
129798-05-6
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD00995828
IUPAC Name:
2-chloro-7-ethoxyquinoline-3-carbaldehyde
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-10-4-3-8-5-9(7-15)12(13)14-11(8)6-10/h3-7H,2H2,1H3
InChI Key:
IIWVEXSCELRQAP-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)nc(c(c2)C=O)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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