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1443351-89-0 | 1,3-Difluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1443351-89-0 Catalog No: AG01EU56 MDL No:
Product Description
Catalog Number:
AG01EU56
Chemical Name:
1,3-Difluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443351-89-0
Molecular Formula:
C13H9F3S
Molecular Weight:
254.2708
IUPAC Name:
1,3-difluoro-2-[(3-fluorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H9F3S/c14-9-3-1-4-10(7-9)17-8-11-12(15)5-2-6-13(11)16/h1-7H,8H2
InChI Key:
WNDBDKHNAJQJDG-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)SCc1c(F)cccc1F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.27g/mol
Monoisotopic Mass:
254.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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