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1443312-40-0 | 3-Thienyl-(3,4,5-trifluorophenyl)methanol
CAS No: 1443312-40-0 Catalog No: AG01FBNE MDL No:
Product Description
Catalog Number:
AG01FBNE
Chemical Name:
3-Thienyl-(3,4,5-trifluorophenyl)methanol
CAS Number:
1443312-40-0
Molecular Formula:
C11H7F3OS
Molecular Weight:
244.2329
IUPAC Name:
thiophen-3-yl-(3,4,5-trifluorophenyl)methanol
InChI:
InChI=1S/C11H7F3OS/c12-8-3-7(4-9(13)10(8)14)11(15)6-1-2-16-5-6/h1-5,11,15H
InChI Key:
FVFGZNBIGBXPNV-UHFFFAOYSA-N
SMILES:
OC(c1cc(F)c(c(c1)F)F)c1cscc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.231g/mol
Monoisotopic Mass:
244.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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