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1245-74-5 | 5(4H)-Oxazolone, 4-[[4-[bis(2-fluoroethyl)amino]phenyl]methylene]-2-phenyl-
CAS No: 1245-74-5 Catalog No: AG000M55 MDL No:
Product Description
Catalog Number:
AG000M55
Chemical Name:
5(4H)-Oxazolone, 4-[[4-[bis(2-fluoroethyl)amino]phenyl]methylene]-2-phenyl-
CAS Number:
1245-74-5
Molecular Formula:
C20H18F2N2O2
Molecular Weight:
356.3659
IUPAC Name:
4-[[4-[bis(2-fluoroethyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C20H18F2N2O2/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18-20(25)26-19(23-18)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChI Key:
FSQFBBSRBVYEAT-UHFFFAOYSA-N
SMILES:
FCCN(c1ccc(cc1)C=C1N=C(OC1=O)c1ccccc1)CCF
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.373g/mol
Monoisotopic Mass:
356.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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