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Home> Hot Product Listed T   > T6775109
1236033-21-8 structure

T6775109

Iupac Name:tert-butyl 4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CAS No.:1236033-21-8
Molecular Weight:253.686
Molecular Formula:C19H23N3O3 (isomer)
Names and Identifiers
Synonyms

MCULE-2934432227 methyl 2-{3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamido}acetate MOLPORT-009-118-051 Z982766798 ZINC58191600

Inchi
InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)15-5-4-7-8(12)13-6-14-9(7)15/h4-6H,1-3H3
InChkey
XGGUTWYJGILAOA-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1C=CC2=C1N=CN=C2Cl
Computational chemical data
  • Molecular Weight:253.686g/mol
  • Molecular Formula:C19H23N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:253.062
  • Monoisotopic Mass:253.062
  • Complexity:306
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:57A^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: AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHgIAAAAADEbBmyQ/uN8MFACo AjJnfACCgCkxBqAJ2CA4ZpiIKMBBysEMBAhIBwLAQCAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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