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322-58-7 | 2-Trifluoromethylthioanisole
CAS No: 322-58-7 Catalog No: AG01EUWR MDL No:MFCD01882714
Product Description
Catalog Number:
AG01EUWR
Chemical Name:
2-Trifluoromethylthioanisole
CAS Number:
322-58-7
Molecular Formula:
C8H7F3S
Molecular Weight:
192.2014
MDL Number:
MFCD01882714
IUPAC Name:
1-methylsulfanyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3
InChI Key:
DZBNBTCLFBOHJR-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C(F)(F)F
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.199g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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