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1443340-29-1 | 2-Chloro-6-fluorobenzyl ethyl sulfide
CAS No: 1443340-29-1 Catalog No: AG01FD63 MDL No:
Product Description
Catalog Number:
AG01FD63
Chemical Name:
2-Chloro-6-fluorobenzyl ethyl sulfide
CAS Number:
1443340-29-1
Molecular Formula:
C9H10ClFS
Molecular Weight:
204.6921
IUPAC Name:
1-chloro-2-(ethylsulfanylmethyl)-3-fluorobenzene
InChI:
InChI=1S/C9H10ClFS/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5H,2,6H2,1H3
InChI Key:
MJROMEPFBDMPDQ-UHFFFAOYSA-N
SMILES:
CCSCc1c(F)cccc1Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.687g/mol
Monoisotopic Mass:
204.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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