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Home > Fluorides > 121660-63-7
121660-63-7 | 2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-
CAS No: 121660-63-7 Catalog No: AG0015IF MDL No:
Product Description
Catalog Number:
AG0015IF
Chemical Name:
2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-
CAS Number:
121660-63-7
Molecular Formula:
C21H16FNO
Molecular Weight:
317.3562
IUPAC Name:
3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal
InChI:
InChI=1S/C21H16FNO/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)23-21(15-7-8-15)18(20)5-3-13-24/h1-6,9-13,15H,7-8H2
InChI Key:
WULPWIFGZFQFEQ-UHFFFAOYSA-N
SMILES:
O=CC=Cc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.363g/mol
Monoisotopic Mass:
317.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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