Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed B   > Butanoic acid,2-[[(4-cyano-1-phenyl-1H-pyrazol-5-yl)amino]methylene]-3-oxo-, ethylester
60906-78-7 structure

Butanoic acid,2-[[(4-cyano-1-phenyl-1H-pyrazol-5-yl)amino]methylene]-3-oxo-, ethylester

Iupac Name:1-(chloromethyl)-2-ethoxybenzene
CAS No.:60906-78-7
Molecular Weight:170.636
Molecular Formula:C18H15NO5 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C9H11ClO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2,7H2,1H3
InChkey
SVMOJICBHLWIDJ-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC=CC=C1CCl
Properties
Refractive Index
1.512
Computational chemical data
  • Molecular Weight:170.636g/mol
  • Molecular Formula:C18H15NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:170.05
  • Monoisotopic Mass:170.05
  • Complexity:106
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:11
  • 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: AAADccBwIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAADAegmEIyBoAABACA AiBCAAACCAAgIAAIiAAGCogMJiKFMRqCOCCkwBEIqAeAwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-021-51093016
  • Fax:+86-021-51062076
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+380 44 537 32 18
  • Fax:+380 44 537 32 53
  • Tel:+86-(25)-84873444
  • Fax:+86-(25)-84507436
  • Tel:+86-021-51093016
  • Fax:+86-021-51062076
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-021-51093016
  • Fax:+86-021-51062076
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+380 44 537 32 18
  • Fax:+380 44 537 32 53
  • Tel:+86-(25)-84873444
  • Fax:+86-(25)-84507436
  • Tel:+86-021-51093016
  • Fax:+86-021-51062076
 
<