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16557-94-1 | Octanoic acid, 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-, ammonium salt (1:1)
CAS No: 16557-94-1 Catalog No: AG001W8K MDL No:
Product Description
Catalog Number:
AG001W8K
Chemical Name:
Octanoic acid, 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-, ammonium salt (1:1)
CAS Number:
16557-94-1
Molecular Formula:
C8H4ClF14NO2
Molecular Weight:
447.5535
IUPAC Name:
azanium;8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoate
InChI:
InChI=1S/C8HClF14O2.H3N/c9-8(22,23)7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(24)25;/h(H,24,25);1H3
InChI Key:
VQMQRMGKPBLNMC-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+]
EC Number:
240-624-2
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.971g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.553g/mol
Monoisotopic Mass:
446.971g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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