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Home > Fluorides > 1443311-21-4
1443311-21-4 | 3,5-Difluoro-4-iso-pentoxyphenyl methyl sulfide
CAS No: 1443311-21-4 Catalog No: AG01F9VC MDL No:
Product Description
Catalog Number:
AG01F9VC
Chemical Name:
3,5-Difluoro-4-iso-pentoxyphenyl methyl sulfide
CAS Number:
1443311-21-4
Molecular Formula:
C12H16F2OS
Molecular Weight:
246.3166
IUPAC Name:
1,3-difluoro-2-(3-methylbutoxy)-5-methylsulfanylbenzene
InChI:
InChI=1S/C12H16F2OS/c1-8(2)4-5-15-12-10(13)6-9(16-3)7-11(12)14/h6-8H,4-5H2,1-3H3
InChI Key:
NNKIMWDSPZOCFA-UHFFFAOYSA-N
SMILES:
CSc1cc(F)c(c(c1)F)OCCC(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.316g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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