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Home > Fluorides > 819792-77-3
819792-77-3 | 2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 819792-77-3 Catalog No: AG005GA8 MDL No:
Product Description
Catalog Number:
AG005GA8
Chemical Name:
2-Propen-1-one, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
819792-77-3
Molecular Formula:
C19H8F12O
Molecular Weight:
480.2471
IUPAC Name:
1,3-bis[3,5-bis(trifluoromethyl)phenyl]prop-2-en-1-one
InChI:
InChI=1S/C19H8F12O/c20-16(21,22)11-3-9(4-12(7-11)17(23,24)25)1-2-15(32)10-5-13(18(26,27)28)8-14(6-10)19(29,30)31/h1-8H
InChI Key:
IXFDIRODFSZSOY-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.038g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.253g/mol
Monoisotopic Mass:
480.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.2
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