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Home > Fluorides > 139732-09-5
139732-09-5 | Benzene, [(3,3,3-trifluoropropyl)sulfinyl]-
CAS No: 139732-09-5 Catalog No: AG001BMB MDL No:
Product Description
Catalog Number:
AG001BMB
Chemical Name:
Benzene, [(3,3,3-trifluoropropyl)sulfinyl]-
CAS Number:
139732-09-5
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
IUPAC Name:
3,3,3-trifluoropropylsulfinylbenzene
InChI:
InChI=1S/C9H9F3OS/c10-9(11,12)6-7-14(13)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
JJVCPEDSSKBRKJ-UHFFFAOYSA-N
SMILES:
FC(CCS(=O)c1ccccc1)(F)F
Properties
Complexity:
197
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.225g/mol
Monoisotopic Mass:
222.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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