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Home > Fluorides > 1411235-00-1
1411235-00-1 | 5-Methyl-2-thienyl-(3,4,5-trifluorophenyl)methanol
CAS No: 1411235-00-1 Catalog No: AG01F91J MDL No:
Product Description
Catalog Number:
AG01F91J
Chemical Name:
5-Methyl-2-thienyl-(3,4,5-trifluorophenyl)methanol
CAS Number:
1411235-00-1
Molecular Formula:
C12H9F3OS
Molecular Weight:
258.2595
IUPAC Name:
(5-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methanol
InChI:
InChI=1S/C12H9F3OS/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5,12,16H,1H3
InChI Key:
BQNSGEXYYILSKG-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(c1cc(F)c(c(c1)F)F)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.258g/mol
Monoisotopic Mass:
258.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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