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Home > Aldehydes > 1254366-15-8
1254366-15-8 | 3-Quinolinecarboxaldehyde, 2-chloro-7-(trifluoromethoxy)-
CAS No: 1254366-15-8 Catalog No: AG000NOS MDL No:MFCD23132257
Product Description
Catalog Number:
AG000NOS
Chemical Name:
3-Quinolinecarboxaldehyde, 2-chloro-7-(trifluoromethoxy)-
CAS Number:
1254366-15-8
Molecular Formula:
C11H5ClF3NO2
Molecular Weight:
275.6111
MDL Number:
MFCD23132257
IUPAC Name:
2-chloro-7-(trifluoromethoxy)quinoline-3-carbaldehyde
InChI:
InChI=1S/C11H5ClF3NO2/c12-10-7(5-17)3-6-1-2-8(4-9(6)16-10)18-11(13,14)15/h1-5H
InChI Key:
PVACEIOQUUWABM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccc(cc2nc1Cl)OC(F)(F)F
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.611g/mol
Monoisotopic Mass:
274.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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