Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6570835
603122-41-4 structure

T6570835

Iupac Name:(3-methoxy-4-methoxycarbonylphenyl)boronic acid
CAS No.:603122-41-4
Molecular Weight:209.992
Molecular Formula:C14H11F3N2O2S2 (isomer)
Names and Identifiers
Synonyms

1-[1-(pyrimidin-2-yl)piperidin-3-yl]-3-[2-(thiophen-2-yl)ethyl]urea MCULE-5996496834 MOLPORT-009-557-284 Z448373568

Inchi
InChI=1S/C9H11BO5/c1-14-8-5-6(10(12)13)3-4-7(8)9(11)15-2/h3-5,12-13H,1-2H3
InChkey
YCXPWNGIPLGCOJ-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC(=C(C=C1)C(=O)OC)OC)(O)O
Properties
Refractive Index
1.526
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:209.992g/mol
  • Molecular Formula:C14H11F3N2O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:210.07
  • Monoisotopic Mass:210.07
  • Complexity:221
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:76A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccJwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGgAACAAADASAmAIyDoAABACI AiDSCAACCAAkIAAIiAEGCMgMJzaENRqAMWAl4BEIqYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+86-(21)-51696579
  • Fax:+86-(21)-51687927, 31267516
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+86-(21)-51696579
  • Fax:+86-(21)-51687927, 31267516
 
<