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1-Octene, 1,1-dibromo- structure
1-Octene, 1,1-dibromo- structure

1-Octene, 1,1-dibromo-

Iupac Name:N-ethyl-3-nitroquinolin-4-amine
CAS No.:99009-89-9
Molecular Weight:217.22
1. Names and Identifiers
1.1 Name
1-Octene, 1,1-dibromo-
1.2 Synonyms

1,1-Dibromo-1-octene 1,1-dibromooct-1-ene 73383-25-2 CTK2H1369 DTXSID00459539

1.3 CAS No.
99009-89-9
1.4 CID
13958323
1.5 Molecular Formula
C25H40O4 (isomer)
1.6 Inchi
InChI=1S/C11H11N3O2/c1-2-12-11-8-5-3-4-6-9(8)13-7-10(11)14(15)16/h3-7H,2H2,1H3,(H,12,13)
1.7 InChkey
FHIBMRPAQHEOTH-UHFFFAOYSA-N
1.8 Canonical Smiles
CCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]
1.9 Isomers Smiles
CCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]
2. Properties
3.1 Density
1.316
3. Computational chemical data
  • Molecular Weight:217.22g/mol
  • Molecular Formula:C25H40O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:217.085126602
  • Monoisotopic Mass:217.085126602
  • Complexity:254
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.7
  • Heavy Atom Count:16
  • 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
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N-ethyl-3-nitroquinolin-4-amine
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2017/11/23
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