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1514-68-7 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, compd. with 1-phenylpiperazine (1:1)
CAS No: 1514-68-7 Catalog No: AG001NBR MDL No:
Product Description
Catalog Number:
AG001NBR
Chemical Name:
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, compd. with 1-phenylpiperazine (1:1)
CAS Number:
1514-68-7
Molecular Formula:
C18H15F15N2O2
Molecular Weight:
576.2999
IUPAC Name:
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid;1-phenylpiperazine
InChI:
InChI=1S/C10H14N2.C8HF15O2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1-5,11H,6-9H2;(H,24,25)
InChI Key:
JQORGNICKOGSFH-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1.OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
NSC Number:
91080
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.089g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
576.306g/mol
Monoisotopic Mass:
576.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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