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1000775-71-2 | Benzenemethanol, α,α'-[thiobis(methylene)]bis[4-fluoro-
CAS No: 1000775-71-2 Catalog No: AG0000TI MDL No:
Product Description
Catalog Number:
AG0000TI
Chemical Name:
Benzenemethanol, α,α'-[thiobis(methylene)]bis[4-fluoro-
CAS Number:
1000775-71-2
Molecular Formula:
C16H16F2O2S
Molecular Weight:
310.3588
IUPAC Name:
1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylethanol
InChI:
InChI=1S/C16H16F2O2S/c17-13-5-1-11(2-6-13)15(19)9-21-10-16(20)12-3-7-14(18)8-4-12/h1-8,15-16,19-20H,9-10H2
InChI Key:
BFYUBAIAJQCXCX-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)F)CSCC(c1ccc(cc1)F)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.359g/mol
Monoisotopic Mass:
310.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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