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863505-15-1 | 3,4-Difluorophenyl ethyl sulfide
CAS No: 863505-15-1 Catalog No: AG01EXW8 MDL No:
Product Description
Catalog Number:
AG01EXW8
Chemical Name:
3,4-Difluorophenyl ethyl sulfide
CAS Number:
863505-15-1
Molecular Formula:
C8H8F2S
Molecular Weight:
174.2109
IUPAC Name:
4-ethylsulfanyl-1,2-difluorobenzene
InChI:
InChI=1S/C8H8F2S/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
InChI Key:
BNNODOKIFBGTSK-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c(c1)F)F
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:
3.2
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