Tcmdc-137559

Molecule SVG Image

Properties Simple | Detailed

Formula C15H8Cl2F6N2O
IUPAC Name 1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea
Molecular Mass 417.133 g·mol−1
Heat of Formation -1380.5 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 391.07 Å 3
Surface Area 350.1 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-bis(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)urea
  • mitin n
  • urea, n,n'-bis(4-chloro-3-(trifluoromethyl)phenyl)-
CAS Number(s)
  • 370-50-3
InChIKey ABOVRDBEJDIBMZ-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N