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821769-98-6 | Benzofuran, 2-(3-chlorophenyl)-3-(trifluoromethyl)-
CAS No: 821769-98-6 Catalog No: AG004VRW MDL No:
Product Description
Catalog Number:
AG004VRW
Chemical Name:
Benzofuran, 2-(3-chlorophenyl)-3-(trifluoromethyl)-
CAS Number:
821769-98-6
Molecular Formula:
C15H8ClF3O
Molecular Weight:
296.6716
IUPAC Name:
2-(3-chlorophenyl)-3-(trifluoromethyl)-1-benzofuran
InChI:
InChI=1S/C15H8ClF3O/c16-10-5-3-4-9(8-10)14-13(15(17,18)19)11-6-1-2-7-12(11)20-14/h1-8H
InChI Key:
HVPNLQKHLMQNBM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1oc2c(c1C(F)(F)F)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.673g/mol
Monoisotopic Mass:
296.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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