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Home> Hot Product Listed T   > T6771526
252574-02-0 structure

T6771526

Iupac Name:tert-butyl (3R,4R)-3-bromo-4-hydroxypyrrolidine-1-carboxylate
CAS No.:252574-02-0
Molecular Weight:266.135
Molecular Formula:C19H19CLO5S (isomer)
Names and Identifiers
Synonyms

4-methoxy-n-(2-oxo-2h-chromen-6-yl)-1-phenyl-1h-pyrazole-3-carboxamide MCULE-3069684254 MOLPORT-009-084-644 Z729534876 ZINC54252688

Inchi
InChI=1S/C9H16BrNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1
InChkey
JVRIILICSFSOJD-RNFRBKRXSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CC(C(C1)Br)O
Computational chemical data
  • Molecular Weight:266.135g/mol
  • Molecular Formula:C19H19CLO5S
  • Compound Is Canonicalized:True
  • Exact Mass:265.031
  • Monoisotopic Mass:265.031
  • Complexity:227
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:2
  • 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: AAADceByMAAAEAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgBACAABzFThgAYCCAMABgAI AAAAGAAAAAAAAAAAAAAIACACEAAAgAAMQAACBgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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