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120123-05-9 | 1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 1-benzoate
CAS No: 120123-05-9 Catalog No: AG000QCU MDL No:
Product Description
Catalog Number:
AG000QCU
Chemical Name:
1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 1-benzoate
CAS Number:
120123-05-9
Molecular Formula:
C15H7F15O2
Molecular Weight:
504.1909
IUPAC Name:
benzoic acid;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol
InChI:
InChI=1S/C8H3F15O.C7H6O2/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;8-7(9)6-4-2-1-3-5-6/h24H,1H2;1-5H,(H,8,9)
InChI Key:
XEGBVWUMUMPMOX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.031g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
522.21g/mol
Monoisotopic Mass:
522.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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