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1443305-01-8 | 2,5-Difluorobenzyl methyl sulfide
CAS No: 1443305-01-8 Catalog No: AG01FEFS MDL No:
Product Description
Catalog Number:
AG01FEFS
Chemical Name:
2,5-Difluorobenzyl methyl sulfide
CAS Number:
1443305-01-8
Molecular Formula:
C8H8F2S
Molecular Weight:
174.2109
IUPAC Name:
1,4-difluoro-2-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C8H8F2S/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5H2,1H3
InChI Key:
RUEYXUYJBVDSAW-UHFFFAOYSA-N
SMILES:
CSCc1cc(F)ccc1F
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.209g/mol
Monoisotopic Mass:
174.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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