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Home> Hot Product Listed 2   > 2H-Indol-2-one,1,3-dihydro-3-[(4-nitrophenyl)methyl]-
164077-49-0 structure

2H-Indol-2-one,1,3-dihydro-3-[(4-nitrophenyl)methyl]-

Iupac Name:3,5-diethoxy-4-(nitrosomethylidene)-1H-pyridine
CAS No.:164077-49-0
Molecular Weight:210.233
Molecular Formula:C12H22O4 (isomer)
Names and Identifiers
Synonyms

2-Indolinone,3-(p-nitrobenzyl)- (8CI) 3-(4-nitrobenzyl)-1,3-dihydro-2h-indol-2-one 3-[(4-nitrophenyl)methyl]-1,3-dihydroindol-2-one AC1L6QPL AC1Q1ZAM CHEMBL1981394 CTK4B7799 DTXSID80297335 HE097861 NCI60_000352 NSC 115618 nsc115618 nsc-115618

Inchi
InChI=1S/C10H14N2O3/c1-3-14-9-6-11-7-10(15-4-2)8(9)5-12-13/h5-7,11H,3-4H2,1-2H3
InChkey
ALOYGYJSWJUNJA-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CNC=C(C1=CN=O)OCC
Properties
Density
0.995
Boiling Point
425.7°Cat760mmHg
Flash Point
223°C
Computational chemical data
  • Molecular Weight:210.233g/mol
  • Molecular Formula:C12H22O4
  • Compound Is Canonicalized:True
  • Exact Mass:210.1
  • Monoisotopic Mass:210.1
  • Complexity:295
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:59.9A^2
  • Heavy Atom Count:15
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAUAAAADAThgAYCAALQBACB AgBGQgAACAAgAAAAAIAIAAgIBAAAIAACAAABQAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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