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Home > Fluorides > 113736-17-7
113736-17-7 | Methanone, (methylenedi-4,1-phenylene)bis[(4-fluorophenyl)- (9CI)
CAS No: 113736-17-7 Catalog No: AG0009HY MDL No:
Product Description
Catalog Number:
AG0009HY
Chemical Name:
Methanone, (methylenedi-4,1-phenylene)bis[(4-fluorophenyl)- (9CI)
CAS Number:
113736-17-7
Molecular Formula:
C27H18F2O2
Molecular Weight:
412.4274
IUPAC Name:
[4-[[4-(4-fluorobenzoyl)phenyl]methyl]phenyl]-(4-fluorophenyl)methanone
InChI:
InChI=1S/C27H18F2O2/c28-24-13-9-22(10-14-24)26(30)20-5-1-18(2-6-20)17-19-3-7-21(8-4-19)27(31)23-11-15-25(29)16-12-23/h1-16H,17H2
InChI Key:
AKWIHAWQRYKYKW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)c1ccc(cc1)Cc1ccc(cc1)C(=O)c1ccc(cc1)F
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.127g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.436g/mol
Monoisotopic Mass:
412.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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