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Home > Fluorides > 1447671-84-2
1447671-84-2 | 1-(Ethylsulfanyl)-3-(trifluoromethyl)benzene
CAS No: 1447671-84-2 Catalog No: AG01EU6G MDL No:MFCD22484164
Product Description
Catalog Number:
AG01EU6G
Chemical Name:
1-(Ethylsulfanyl)-3-(trifluoromethyl)benzene
CAS Number:
1447671-84-2
Molecular Formula:
C9H9F3S
Molecular Weight:
206.2280
MDL Number:
MFCD22484164
IUPAC Name:
1-ethylsulfanyl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H9F3S/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6H,2H2,1H3
InChI Key:
HIAGQDRTGGYWJW-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.226g/mol
Monoisotopic Mass:
206.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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