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59080-17-0 | 4-Fluoronaphthyl methyl sulfide
CAS No: 59080-17-0 Catalog No: AG01EWK5 MDL No:MFCD07782167
Product Description
Catalog Number:
AG01EWK5
Chemical Name:
4-Fluoronaphthyl methyl sulfide
CAS Number:
59080-17-0
Molecular Formula:
C11H9FS
Molecular Weight:
192.2526
MDL Number:
MFCD07782167
IUPAC Name:
1-fluoro-4-methylsulfanylnaphthalene
InChI:
InChI=1S/C11H9FS/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChI Key:
RRYPUEQOPVEUHM-UHFFFAOYSA-N
SMILES:
CSc1ccc(c2c1cccc2)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.251g/mol
Monoisotopic Mass:
192.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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