Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6603028
51656-57-6 structure

T6603028

Iupac Name:(6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
CAS No.:51656-57-6
Molecular Weight:355.438
Molecular Formula:C11H10CLNOS2 (isomer)
Names and Identifiers
Synonyms

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-n-[1-(thiophen-2-yl)ethyl]butanamide MCULE-8104354337 MOLPORT-009-519-738 Z28879412

Inchi
InChI=1S/C20H25N3O3/c1-19(2,3)13-20(4,5)14-10-11-18(24)16(12-14)22-21-15-8-6-7-9-17(15)23(25)26/h6-12,21H,13H2,1-5H3/b22-16-
InChkey
YXAMHUHWXVKNRR-JWGURIENSA-N
Canonical Smiles
CC(C)(C)CC(C)(C)C1=CC(=NNC2=CC=CC=C2[N+](=O)[O-])C(=O)C=C1
Isomers Smiles
CC(C)(C)CC(C)(C)C1=C/C(=N/NC2=CC=CC=C2[N+](=O)[O-])/C(=O)C=C1
Properties
Refractive Index
1.561
Computational chemical data
  • Molecular Weight:355.438g/mol
  • Molecular Formula:C11H10CLNOS2
  • Compound Is Canonicalized:True
  • Exact Mass:355.19
  • Monoisotopic Mass:355.19
  • Complexity:648
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:87.3A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAcAAAADgyBkAAywIByQACp A6RyQwCSBAAgAgA4iAEwdNoIYCKAkZGAIABgmIAIyYcQAAAPAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-(10)-6493-1655
  • Fax:+86-(10)-6493-1652
Recommended Suppliers
  • Tel:+86-(10)-6493-1655
  • Fax:+86-(10)-6493-1652
 
<