1-Octanesulfonamide,N-phenyl-(CAS No. 5454-98-8)

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
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Keywords

1-Octanesulfonamide,N-phenyl- 5454-98-8 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
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Details:

【Name】
1-Octanesulfonamide,N-phenyl-
【Iupac name】
N-phenyloctane-1-sulfonamide
【CAS Registry number】
5454-98-8
【Synonyms】
NSC 23399
【Molecular Formula】
C14H23 N O2 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C14H23NO2S/c1-2-3-4-5-6-10-13-18(16,17)15-14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3
【Canonical SMILES】
CCCCCCCCS(=O)(=O)NC1=CC=CC=C1
【MOL File】
5454-98-8.mol
Chemical and Physical Properties
【Density】
1.097g/cm3
【Boiling Point】
384°Cat760mmHg
【Refractive Index】
1.533
【Flash Point】
186°C
【Computed Properties】
Molecular Weight:269.40292 [g/mol]
Molecular Formula:C14H23NO2S
XLogP3-AA:4.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:9
Exact Mass:269.14495
MonoIsotopic Mass:269.14495
Topological Polar Surface Area:54.6
Heavy Atom Count:18
Formal Charge:0
Complexity:289
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:160

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