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Home> Hot Product Listed 2   > 2H-Indol-2-one, 1,3-dihydro-3-[1-(1-methyl-1H-indol-3-yl)-2-oxopropyl]-
311-44-4 structure

2H-Indol-2-one, 1,3-dihydro-3-[1-(1-methyl-1H-indol-3-yl)-2-oxopropyl]-

Iupac Name:bis(2-chloroethyl) (4-nitrophenyl) phosphate
CAS No.:311-44-4
Molecular Weight:344.081
Molecular Formula:C9H9CLN4O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H12Cl2NO6P/c11-5-7-17-20(16,18-8-6-12)19-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2
InChkey
IDERFWIIXARCJS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCCCl)OCCCl
Properties
Refractive Index
1.538
Safety and Handling
Safety Statements
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, POx, and Cl−.
Computational chemical data
  • Molecular Weight:344.081g/mol
  • Molecular Formula:C9H9CLN4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:342.978
  • Monoisotopic Mass:342.978
  • Complexity:333
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:90.6A^2
  • Heavy Atom Count:20
  • 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: AAADccByOAIGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIEACAACA+hkEIwxoAQQRCB QCRCQ4CCAAAgIgAoiAAGbYoIJiKAkZOAMABkwBEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAA AA==
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