Home Other Building Blocks 1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-ol

1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-ol

CAS No.:
21101-66-6
Catalog Number:
AG01A6EH
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
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Product Description
Catalog Number:
AG01A6EH
Chemical Name:
1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethan-1-ol
CAS Number:
21101-66-6
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
MDL Number:
MFCD19601878
IUPAC Name:
1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
InChI:
InChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3
InChI Key:
HSJRMALTSZKPOV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)SC(F)(F)F)O
Properties
Complexity:
175  
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:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties