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86440-79-1 | Benzene, [(2,2,2-trifluoro-1-methylethyl)sulfinyl]-
CAS No: 86440-79-1 Catalog No: AG004XAE MDL No:
Product Description
Catalog Number:
AG004XAE
Chemical Name:
Benzene, [(2,2,2-trifluoro-1-methylethyl)sulfinyl]-
CAS Number:
86440-79-1
Molecular Formula:
C9H9F3OS
Molecular Weight:
222.2274
IUPAC Name:
1,1,1-trifluoropropan-2-ylsulfinylbenzene
InChI:
InChI=1S/C9H9F3OS/c1-7(9(10,11)12)14(13)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
VVUSJKANHSSJJZ-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)S(=O)c1ccccc1
Properties
Complexity:
209
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:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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