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Home> Hot Product Listed 2   > 2-(1,10-dihydropyrrolo[2,3-a]carbazol-3-yl)-2-oxoacetyl chloride
67135-13-1 structure

2-(1,10-dihydropyrrolo[2,3-a]carbazol-3-yl)-2-oxoacetyl chloride

CAS No.:67135-13-1
Molecular Weight:518.55946
Molecular Formula:C19H13CLFN3S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H30N4O4.C4H4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15;5-3(6)1-2-4(7)8/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+
Canonical Smiles
CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.C(=CC(=O)O)C(=O)O
Isomers Smiles
CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.C(=C/C(=O)O)\C
(=O)O
Computational chemical data
  • Molecular Weight:518.55946g/mol
  • Molecular Formula:C19H13CLFN3S
  • Exact Mass:518.237664
  • Monoisotopic Mass:518.237664
  • Complexity:705
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:188
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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