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Home > Fluorides > 1314903-77-9
1314903-77-9 | 3,4-Difluoro-5-methoxyphenyl methyl sulfide
CAS No: 1314903-77-9 Catalog No: AG01FAWV MDL No:
Product Description
Catalog Number:
AG01FAWV
Chemical Name:
3,4-Difluoro-5-methoxyphenyl methyl sulfide
CAS Number:
1314903-77-9
Molecular Formula:
C8H8F2OS
Molecular Weight:
190.2103
IUPAC Name:
1,2-difluoro-3-methoxy-5-methylsulfanylbenzene
InChI:
InChI=1S/C8H8F2OS/c1-11-7-4-5(12-2)3-6(9)8(7)10/h3-4H,1-2H3
InChI Key:
BNNINDWWNRSGEB-UHFFFAOYSA-N
SMILES:
COc1cc(SC)cc(c1F)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.208g/mol
Monoisotopic Mass:
190.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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