200,000+ products from a single source!
sales@angenechem.com
102582-92-3 | Acetic acid, [(4-fluorophenyl)sulfonyl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (9CI)
CAS No: 102582-92-3 Catalog No: AG0007TW MDL No:
Product Description
Catalog Number:
AG0007TW
Chemical Name:
Acetic acid, [(4-fluorophenyl)sulfonyl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) (9CI)
CAS Number:
102582-92-3
Molecular Formula:
C14H22FNO7S
Molecular Weight:
367.3904
IUPAC Name:
2-(4-fluorophenyl)sulfonylacetate;tris(2-hydroxyethyl)azanium
InChI:
InChI=1S/C8H7FO4S.C6H15NO3/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11;8-4-1-7(2-5-9)3-6-10/h1-4H,5H2,(H,10,11);8-10H,1-6H2
InChI Key:
WTTBAZUHLKDGJP-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CS(=O)(=O)c1ccc(cc1)F.OCC[NH+](CCO)CCO
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
367.388g/mol
Monoisotopic Mass:
367.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.