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836-45-3 | 1-Fluoro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS No: 836-45-3 Catalog No: AG01EXLN MDL No:
Product Description
Catalog Number:
AG01EXLN
Chemical Name:
1-Fluoro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
836-45-3
Molecular Formula:
C13H10F2S
Molecular Weight:
236.2803
IUPAC Name:
1-fluoro-4-[(4-fluorophenyl)methylsulfanyl]benzene
InChI:
InChI=1S/C13H10F2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChI Key:
AOTPFBDCLQGDTH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCc1ccc(cc1)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.28g/mol
Monoisotopic Mass:
236.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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