200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 131589-59-8
131589-59-8 | Methanone, (4-azido-2,3,5,6-tetrafluorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-
CAS No: 131589-59-8 Catalog No: AG000ZGJ MDL No:
Product Description
Catalog Number:
AG000ZGJ
Chemical Name:
Methanone, (4-azido-2,3,5,6-tetrafluorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-
CAS Number:
131589-59-8
Molecular Formula:
C21H9F4N3O3S
Molecular Weight:
459.3731
IUPAC Name:
(4-azido-2,3,5,6-tetrafluorophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
InChI:
InChI=1S/C21H9F4N3O3S/c22-15-14(16(23)18(25)19(17(15)24)27-28-26)20(31)13-11-6-5-10(30)7-12(11)32-21(13)8-1-3-9(29)4-2-8/h1-7,29-30H
InChI Key:
ASGVFRXBCDLYDP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.03g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.375g/mol
Monoisotopic Mass:
459.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.