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Home > Fluorides > 1443313-62-9
1443313-62-9 | 3,5-Difluoro-2-iso-pentoxyphenyl methyl sulfide
CAS No: 1443313-62-9 Catalog No: AG01F9VG MDL No:
Product Description
Catalog Number:
AG01F9VG
Chemical Name:
3,5-Difluoro-2-iso-pentoxyphenyl methyl sulfide
CAS Number:
1443313-62-9
Molecular Formula:
C12H16F2OS
Molecular Weight:
246.3166
IUPAC Name:
1,5-difluoro-2-(3-methylbutoxy)-3-methylsulfanylbenzene
InChI:
InChI=1S/C12H16F2OS/c1-8(2)4-5-15-12-10(14)6-9(13)7-11(12)16-3/h6-8H,4-5H2,1-3H3
InChI Key:
CCEJMJUUQMRVFI-UHFFFAOYSA-N
SMILES:
CSc1cc(F)cc(c1OCCC(C)C)F
Properties
Complexity:
202
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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