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Home> Hot Product Listed R   > RFURESQBEJZPML-UHFFFAOYSA-N
1092351-86-4 structure

RFURESQBEJZPML-UHFFFAOYSA-N

Iupac Name:methyl 2-methylindazole-5-carboxylate
CAS No.:1092351-86-4
Molecular Weight:190.202
Molecular Formula:C17H26N2O4 (isomer)
Names and Identifiers
Synonyms

2-chloro-4-((3-methylcyclopentyl)oxy)benzonitrile 2-chloro-4-(3-methyl-cyclopentyloxy)-benzonitrile SCHEMBL3187947

Inchi
InChI=1S/C10H10N2O2/c1-12-6-8-5-7(10(13)14-2)3-4-9(8)11-12/h3-6H,1-2H3
InChkey
ZOXYVIUYSOLWRJ-UHFFFAOYSA-N
Canonical Smiles
CN1C=C2C=C(C=CC2=N1)C(=O)OC
Computational chemical data
  • Molecular Weight:190.202g/mol
  • Molecular Formula:C17H26N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:190.074
  • Monoisotopic Mass:190.074
  • Complexity:232
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:44.1A^2
  • Heavy Atom Count:14
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAIAAAADAjBngY+yPIIBACq AzT3TACSBAA1ggAY2CE4bNgIJrLA9dmEtQhkyAFI6YeY2WOeCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-10-60410369
  • Fax:+86-10-60410369
 
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