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Home > Fluorides > 148901-68-2
148901-68-2 | 2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-
CAS No: 148901-68-2 Catalog No: AG001L9V MDL No:MFCD09955496
Product Description
Catalog Number:
AG001L9V
Chemical Name:
2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-
CAS Number:
148901-68-2
Molecular Formula:
C21H16FNO
Molecular Weight:
317.3562
MDL Number:
MFCD09955496
IUPAC Name:
(E)-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/b5-3+
InChI Key:
WULPWIFGZFQFEQ-HWKANZROSA-N
SMILES:
O=C/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
EC Number:
604-663-2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
4.4
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