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Home> Hot Product Listed T   > T6442426
914287-54-0 structure

T6442426

Iupac Name:3-(4-chlorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbaldehyde
CAS No.:914287-54-0
Molecular Weight:251.666g/mol
Molecular Formula:C12H21N3O2S (isomer)
Names and Identifiers
Synonyms

MCULE-8229697721 MOLPORT-009-305-197 n-(2-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide Z391936202

Inchi
InChI=1S/C12H10ClNO3/c1-16-7-11-10(6-15)12(14-17-11)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChkey
BURNNJLFAIHJQH-UHFFFAOYSA-N
Canonical Smiles
COCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C=O
Computational chemical data
  • Molecular Weight:251.666g/molg/mol
  • Molecular Formula:C12H21N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:251.035
  • Monoisotopic Mass:251.035
  • Complexity:256
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:17
  • 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: AAADccByMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIEAAAADA6hniIyhJAQBACp A6xywgKCAAAkJQAomCFkTtoJJr6Js5+AMcBm4BkK6Ue6yPCOBAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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