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190197-91-2 | 2-Chloro-6-fluorobenzyl methyl sulfide
CAS No: 190197-91-2 Catalog No: AG01FCTD MDL No:
Product Description
Catalog Number:
AG01FCTD
Chemical Name:
2-Chloro-6-fluorobenzyl methyl sulfide
CAS Number:
190197-91-2
Molecular Formula:
C8H8ClFS
Molecular Weight:
190.6655
IUPAC Name:
1-chloro-3-fluoro-2-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C8H8ClFS/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3
InChI Key:
BRRWQLFHAQOABB-UHFFFAOYSA-N
SMILES:
CSCc1c(F)cccc1Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.66g/mol
Monoisotopic Mass:
190.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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