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Home > Fluorides > 1352216-37-5
1352216-37-5 | 2,2-Difluoro-1-(3-methylsulfanyl-phenyl)ethanone
CAS No: 1352216-37-5 Catalog No: AG01F9IE MDL No:
Product Description
Catalog Number:
AG01F9IE
Chemical Name:
2,2-Difluoro-1-(3-methylsulfanyl-phenyl)ethanone
CAS Number:
1352216-37-5
Molecular Formula:
C9H8F2OS
Molecular Weight:
202.2210
IUPAC Name:
2,2-difluoro-1-(3-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C9H8F2OS/c1-13-7-4-2-3-6(5-7)8(12)9(10)11/h2-5,9H,1H3
InChI Key:
PIQXZHJXNQMHFS-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)C(=O)C(F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.219g/mol
Monoisotopic Mass:
202.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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