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Home> Hot Product Listed T   > T6501632
54444-97-2 structure

T6501632

Iupac Name:6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CAS No.:54444-97-2
Molecular Weight:199.678
Molecular Formula:C25H20CLN3O4 (isomer)
Names and Identifiers
Synonyms

3-(2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-oxoethyl)-6-nitro-2,3-dihydro-1,3-benzoxazol-2-one MCULE-8480646474 MOLPORT-009-220-785 Z62803513 ZINC39969271

Inchi
InChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h2-4,9H,5-6,11H2,1H3;1H
InChkey
BMYNVFMTSSEVRZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1)OCC(C2)N.Cl
Computational chemical data
  • Molecular Weight:199.678g/mol
  • Molecular Formula:C25H20CLN3O4
  • Compound Is Canonicalized:True
  • Exact Mass:199.076
  • Monoisotopic Mass:199.076
  • Complexity:160
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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