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844885-23-0 | 3,5-DIFLUORO-4'-(ETHYLTHIO)BENZOPHENONE
CAS No: 844885-23-0 Catalog No: AG004VQZ MDL No:MFCD06201531
Product Description
Catalog Number:
AG004VQZ
Chemical Name:
3,5-DIFLUORO-4'-(ETHYLTHIO)BENZOPHENONE
CAS Number:
844885-23-0
Molecular Formula:
C15H12F2OS
Molecular Weight:
278.3170
MDL Number:
MFCD06201531
IUPAC Name:
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
InChI:
InChI=1S/C15H12F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9H,2H2,1H3
InChI Key:
ZGIUAJGFOFIFLK-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)c1cc(F)cc(c1)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.317g/mol
Monoisotopic Mass:
278.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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