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88888-32-8 | Bicyclo[2.2.1]heptane-1-methanol, 4-fluoro-, 4-methylbenzenesulfonate
CAS No: 88888-32-8 Catalog No: AG0049J8 MDL No:
Product Description
Catalog Number:
AG0049J8
Chemical Name:
Bicyclo[2.2.1]heptane-1-methanol, 4-fluoro-, 4-methylbenzenesulfonate
CAS Number:
88888-32-8
Molecular Formula:
C15H21FO4S
Molecular Weight:
316.3882
IUPAC Name:
(4-fluoro-1-bicyclo[2.2.1]heptanyl)methanol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H13FO.C7H8O3S/c9-8-3-1-7(5-8,6-10)2-4-8;1-6-2-4-7(5-3-6)11(8,9)10/h10H,1-6H2;2-5H,1H3,(H,8,9,10)
InChI Key:
WHQOBLCYJZZHHW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCC12CCC(C2)(CC1)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.387g/mol
Monoisotopic Mass:
316.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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