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Furan, 2,5-bis(4-nitrophenyl)- structure
Furan, 2,5-bis(4-nitrophenyl)- structure

Furan, 2,5-bis(4-nitrophenyl)-

Iupac Name:1-(2,6-dimethylphenyl)pyrrole-3-carbaldehyde
CAS No.:132688-31-4
Molecular Weight:199.253
1. Names and Identifiers
1.1 Name
Furan, 2,5-bis(4-nitrophenyl)-
1.2 CAS No.
132688-31-4
1.3 CID
4715345
1.4 Molecular Formula
C12H21CLHGO2 (isomer)
1.5 Inchi
InChI=1S/C13H13NO/c1-10-4-3-5-11(2)13(10)14-7-6-12(8-14)9-15/h3-9H,1-2H3
1.6 InChkey
XGYWMIOYSRBPAT-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=C(C(=CC=C1)C)N2C=CC(=C2)C=O
1.8 Isomers Smiles
CC1=C(C(=CC=C1)C)N2C=CC(=C2)C=O
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:199.253g/mol
  • Molecular Formula:C12H21CLHGO2
  • Compound Is Canonicalized:True
  • Exact Mass:199.1
  • Monoisotopic Mass:199.1
  • Complexity:219
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:22A^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: AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAAAAAADAjhmgY+wJMMEACo Ajx3xACCgCA1AiAI2CE4ZNgIIPrAlZGEIYhggADIyccUgEAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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1-(2,6-DIMETHYLPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
  • Purity:99%Packing: 200kg/bag FOB
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1-(2,6-DIMETHYLPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
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1-(2,6-DIMETHYLPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/11/25
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