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Home > Fluorides > 114069-06-6
114069-06-6 | 1-Decanol, 2-fluoro-, 1-(4-methylbenzenesulfonate)
CAS No: 114069-06-6 Catalog No: AG000AGX MDL No:
Product Description
Catalog Number:
AG000AGX
Chemical Name:
1-Decanol, 2-fluoro-, 1-(4-methylbenzenesulfonate)
CAS Number:
114069-06-6
Molecular Formula:
C17H29FO4S
Molecular Weight:
348.4732
IUPAC Name:
2-fluorodecan-1-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C10H21FO.C7H8O3S/c1-2-3-4-5-6-7-8-10(11)9-12;1-6-2-4-7(5-3-6)11(8,9)10/h10,12H,2-9H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key:
SAZLPYQHEKLGAG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCCCCCCCC(CO)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.177g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.473g/mol
Monoisotopic Mass:
348.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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