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Home > Fluorides > 535937-56-5
535937-56-5 | 2-(4-Trifluoromethylphenylsulfanyl)ethanol
CAS No: 535937-56-5 Catalog No: AG01EWDQ MDL No:MFCD03789199
Product Description
Catalog Number:
AG01EWDQ
Chemical Name:
2-(4-Trifluoromethylphenylsulfanyl)ethanol
CAS Number:
535937-56-5
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
MDL Number:
MFCD03789199
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]sulfanylethanol
InChI:
InChI=1S/C9H9F3OS/c10-9(11,12)7-1-3-8(4-2-7)14-6-5-13/h1-4,13H,5-6H2
InChI Key:
CTBDPWZFUOFNIH-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)C(F)(F)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.225g/mol
Monoisotopic Mass:
222.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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