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Home > Fluorides > 143689-57-0
143689-57-0 | 2,1-Benzisoxazole, 5,5'-thiobis[3-(4-fluorophenyl)- (9CI)
CAS No: 143689-57-0 Catalog No: AG001I6C MDL No:
Product Description
Catalog Number:
AG001I6C
Chemical Name:
2,1-Benzisoxazole, 5,5'-thiobis[3-(4-fluorophenyl)- (9CI)
CAS Number:
143689-57-0
Molecular Formula:
C26H14F2N2O2S
Molecular Weight:
456.4634
IUPAC Name:
3-(4-fluorophenyl)-5-[[3-(4-fluorophenyl)-2,1-benzoxazol-5-yl]sulfanyl]-2,1-benzoxazole
InChI:
InChI=1S/C26H14F2N2O2S/c27-17-5-1-15(2-6-17)25-21-13-19(9-11-23(21)29-31-25)33-20-10-12-24-22(14-20)26(32-30-24)16-3-7-18(28)8-4-16/h1-14H
InChI Key:
NRBNMQSHGBQKSX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1onc2c1cc(cc2)Sc1ccc2c(c1)c(on2)c1ccc(cc1)F
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.074g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.467g/mol
Monoisotopic Mass:
456.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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