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1443354-54-8 | 4'-(n-Butylthio)-2,2,2-trifluoroacetophenone
CAS No: 1443354-54-8 Catalog No: AG01FAQB MDL No:
Product Description
Catalog Number:
AG01FAQB
Chemical Name:
4'-(n-Butylthio)-2,2,2-trifluoroacetophenone
CAS Number:
1443354-54-8
Molecular Formula:
C12H13F3OS
Molecular Weight:
262.2912
IUPAC Name:
1-(4-butylsulfanylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H13F3OS/c1-2-3-8-17-10-6-4-9(5-7-10)11(16)12(13,14)15/h4-7H,2-3,8H2,1H3
InChI Key:
PCXHQTFDFMTBEA-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1)C(=O)C(F)(F)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.29g/mol
Monoisotopic Mass:
262.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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