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1422-69-1 | 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, 1-acetate
CAS No: 1422-69-1 Catalog No: AG001HYC MDL No:
Product Description
Catalog Number:
AG001HYC
Chemical Name:
1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, 1-acetate
CAS Number:
1422-69-1
Molecular Formula:
C7H6F8O2
Molecular Weight:
274.1086
IUPAC Name:
acetic acid;2,2,3,3,4,4,5,5-octafluoropentan-1-ol
InChI:
InChI=1S/C5H4F8O.C2H4O2/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;1-2(3)4/h2,14H,1H2;1H3,(H,3,4)
InChI Key:
BPJQPXVSWKOLQS-UHFFFAOYSA-N
SMILES:
FC(C(C(C(COC(=O)C)(F)F)(F)F)(F)F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.125g/mol
Monoisotopic Mass:
292.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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