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85721-02-4

85721-02-4 | 4'-FLUORO-2-MERCAPTO-5-(TRIFLUOROMETHYL)BENZOPHENONE

CAS No: 85721-02-4 Catalog No: AG004P9U MDL No:

Product Description

Catalog Number:
AG004P9U
Chemical Name:
4'-FLUORO-2-MERCAPTO-5-(TRIFLUOROMETHYL)BENZOPHENONE
CAS Number:
85721-02-4
Molecular Formula:
C14H8F4OS
Molecular Weight:
300.2713
IUPAC Name:
(4-fluorophenyl)-[2-sulfanyl-5-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C14H8F4OS/c15-10-4-1-8(2-5-10)13(19)11-7-9(14(16,17)18)3-6-12(11)20/h1-7,20H
InChI Key:
BGLUEAAVFASDSK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1cc(ccc1S)C(F)(F)F
EC Number:
288-411-3

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.023g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.271g/mol
Monoisotopic Mass:
300.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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