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Home > Fluorides > 129644-70-8
129644-70-8 | Phenol, 2,3-dimethyl-4-[(trifluoromethyl)thio]-
CAS No: 129644-70-8 Catalog No: AG000Z94 MDL No:
Product Description
Catalog Number:
AG000Z94
Chemical Name:
Phenol, 2,3-dimethyl-4-[(trifluoromethyl)thio]-
CAS Number:
129644-70-8
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
IUPAC Name:
2,3-dimethyl-4-(trifluoromethylsulfanyl)phenol
InChI:
InChI=1S/C9H9F3OS/c1-5-6(2)8(4-3-7(5)13)14-9(10,11)12/h3-4,13H,1-2H3
InChI Key:
AWSUDEIARBMXTI-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1C)C)SC(F)(F)F
Properties
Complexity:
195
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:
1
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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