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Home> Encyclopedia > Hot Product Listed 2   > 2H-Indol-2-one,1,3-dihydro-5-hydroxy-3-[(phenylamino)methylene]-, (Z)- (9CI)
36653-55-1 structure

2H-Indol-2-one,1,3-dihydro-5-hydroxy-3-[(phenylamino)methylene]-, (Z)- (9CI)

CAS No.:36653-55-1
Molecular Weight:441.39746
Molecular Formula:C8H9CLN4O4 (isomer)
Names and Identifiers
Synonyms

(3Z)-3-(anilinomethylidene)-5-hydroxy-1H-indol-2-one 1,3-Dihydro-5-hydroxy-3-((phenylamino)methylene)-2H-indol-2-one (Z)- 2H-Indol-2-one, 1,3-dihydro-5-hydroxy-3-((phenylamino)methylene)-, (Z)- AC1NX858 LS-83852

Inchi
InChI=1/C19H19N7O6.K/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);/q;+1/p-1/t12-;/m0./s1
Canonical Smiles
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Isomers Smiles
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Properties
Boiling Point
306.1°Cat760mmHg
Computational chemical data
  • Molecular Weight:441.39746g/mol
  • Molecular Formula:C8H9CLN4O4
  • Exact Mass:441.139681
  • Monoisotopic Mass:441.139681
  • Complexity:767
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:209
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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