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75825-93-3 | Cyclooctane, 1-fluoro-2-(methylthio)-, trans-
CAS No: 75825-93-3 Catalog No: AG005I3U MDL No:
Product Description
Catalog Number:
AG005I3U
Chemical Name:
Cyclooctane, 1-fluoro-2-(methylthio)-, trans-
CAS Number:
75825-93-3
Molecular Formula:
C9H17FS
Molecular Weight:
176.2947
IUPAC Name:
(1R,2R)-1-fluoro-2-methylsulfanylcyclooctane
InChI:
InChI=1S/C9H17FS/c1-11-9-7-5-3-2-4-6-8(9)10/h8-9H,2-7H2,1H3/t8-,9-/m1/s1
InChI Key:
ABMQKRNGXMHUDG-RKDXNWHRSA-N
SMILES:
CS[C@@H]1CCCCCC[C@H]1F
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
176.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.293g/mol
Monoisotopic Mass:
176.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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