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844856-50-4 | 4-Methylthio-3'-trifluoromethylbiphenyl
CAS No: 844856-50-4 Catalog No: AG01EXP5 MDL No:
Product Description
Catalog Number:
AG01EXP5
Chemical Name:
4-Methylthio-3'-trifluoromethylbiphenyl
CAS Number:
844856-50-4
Molecular Formula:
C14H11F3S
Molecular Weight:
268.2973
IUPAC Name:
1-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C14H11F3S/c1-18-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15,16)17/h2-9H,1H3
InChI Key:
QFEWFBYUNMZRGE-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.297g/mol
Monoisotopic Mass:
268.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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