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Home > Fluorides > 132980-69-9
132980-69-9 | Isobenzofuran, 1,3-bis(4-fluorophenyl)-4,7-dihydro-4,7-diphenyl-
CAS No: 132980-69-9 Catalog No: AG0011GX MDL No:
Product Description
Catalog Number:
AG0011GX
Chemical Name:
Isobenzofuran, 1,3-bis(4-fluorophenyl)-4,7-dihydro-4,7-diphenyl-
CAS Number:
132980-69-9
Molecular Formula:
C32H22F2O
Molecular Weight:
460.5133
IUPAC Name:
1,3-bis(4-fluorophenyl)-4,7-diphenyl-4,7-dihydro-2-benzofuran
InChI:
InChI=1S/C32H22F2O/c33-25-15-11-23(12-16-25)31-29-27(21-7-3-1-4-8-21)19-20-28(22-9-5-2-6-10-22)30(29)32(35-31)24-13-17-26(34)18-14-24/h1-20,27-28H
InChI Key:
QVNFHWJICIUFCG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1oc(c2c1C(C=CC2c1ccccc1)c1ccccc1)c1ccc(cc1)F
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.164g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.524g/mol
Monoisotopic Mass:
460.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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