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821770-02-9 | Benzofuran, 2-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-
CAS No: 821770-02-9 Catalog No: AG004VRS MDL No:
Product Description
Catalog Number:
AG004VRS
Chemical Name:
Benzofuran, 2-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-
CAS Number:
821770-02-9
Molecular Formula:
C21H12ClF3O
Molecular Weight:
372.7676
IUPAC Name:
2-(4-chlorophenyl)-5-phenyl-3-(trifluoromethyl)-1-benzofuran
InChI:
InChI=1S/C21H12ClF3O/c22-16-9-6-14(7-10-16)20-19(21(23,24)25)17-12-15(8-11-18(17)26-20)13-4-2-1-3-5-13/h1-12H
InChI Key:
AAPDMKTWDCKRMH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1oc2c(c1C(F)(F)F)cc(cc2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.053g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.771g/mol
Monoisotopic Mass:
372.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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