Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > S06-0019
1131614-44-2 structure

S06-0019

Iupac Name:3-iodo-4-pentan-2-yloxybenzoic acid
CAS No.:1131614-44-2
Molecular Weight:334.153
Molecular Formula:C22H19N3O3 (isomer)
Names and Identifiers
Synonyms

[4-(2-Chloro-4-fluoro-benzyloxy)-benzenesulfonyl-aMino]acetic acid tert-butyl ester AC1Q1MQL AJ-92658 AK-42058 AKOS015919403 ANW-45983 AX8209399 BG01138729 c19h21clfno5s CTK8B4735 DTXSID00657952 hmvfucvlfrwecd-uhfffaoysa-n KB-260222 OR208561 ST24031726 ST51055999 TC-134728 tert-butyl ((4-((2-chloro-4-fluorobenzyl)oxy)phenyl)sulfonyl)glycinate tert-butyl 2-({4-[(2-chloro-4-fluorophenyl)methoxy]benzene}sulfonamido)acetate tert-butyl 2-(4-((2-chloro-4-fluorobenzyl)oxy)phenylsulfonamido)acetate tert-butyl 2-(4-(2-chloro-4-fluorobenzyloxy)phenylsulfonaMido)acetate tert-butyl 2-{4-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonamido}acetate tert-butyl n-{4-[(2-chloro-4-fluorophenyl)methoxy]benzene-1-sulfonyl}glycinate X9433 ZINC36377895

Inchi
InChI=1S/C12H15IO3/c1-3-4-8(2)16-11-6-5-9(12(14)15)7-10(11)13/h5-8H,3-4H2,1-2H3,(H,14,15)
InChkey
YVWVNDKUMZCODA-UHFFFAOYSA-N
Canonical Smiles
CCCC(C)OC1=C(C=C(C=C1)C(=O)O)I
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:334.153g/mol
  • Molecular Formula:C22H19N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:334.007
  • Monoisotopic Mass:334.007
  • Complexity:232
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAgCAAADBSimAIyDoAABgCI AiDSCAACCAAkIAAIiAEGCMgMJjKENRqCeSCkwBEIuYeI7CzOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<