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1443351-64-1 | 1,3-Difluoro-5-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1443351-64-1 Catalog No: AG01EU53 MDL No:
Product Description
Catalog Number:
AG01EU53
Chemical Name:
1,3-Difluoro-5-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443351-64-1
Molecular Formula:
C13H9F3S
Molecular Weight:
254.2708
IUPAC Name:
1,3-difluoro-5-[(4-fluorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H9F3S/c14-10-1-3-13(4-2-10)17-8-9-5-11(15)7-12(16)6-9/h1-7H,8H2
InChI Key:
BLONFFOVMWALEH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCc1cc(F)cc(c1)F
Properties
Complexity:
219
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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