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819792-70-6 | 2-Propen-1-one, 3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-
CAS No: 819792-70-6 Catalog No: AG0055EO MDL No:
Product Description
Catalog Number:
AG0055EO
Chemical Name:
2-Propen-1-one, 3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)-
CAS Number:
819792-70-6
Molecular Formula:
C18H12F6O2
Molecular Weight:
374.2771
IUPAC Name:
3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H12F6O2/c1-26-15-4-2-3-12(9-15)16(25)6-5-11-7-13(17(19,20)21)10-14(8-11)18(22,23)24/h2-10H,1H3
InChI Key:
CBJLLLGPFLOMFP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)C=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.282g/mol
Monoisotopic Mass:
374.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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