1-(1-Azepanyl)-3-(2,5-Dichlorophenyl)Urea

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Properties Simple | Detailed

Formula C13H17Cl2N3O
IUPAC Name 1-(azepan-1-yl)-3-(2,5-dichlorophenyl)urea
Molecular Mass 302.200 g·mol−1
Heat of Formation -89.9 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 338.98 Å 3
Surface Area 308.21 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,5-dichlorophenyl)-3-(hexahydro-1h-azepin-1-yl)urea
  • urea, 1-(2,5-dichlorophenyl)-3-(hexahydro-1h-azepin-1-yl)-
  • urea, n-(2,5-dichlorophenyl)-n'-(hexahydro-1h-azepin-1-yl)-
  • urea, n-(2,5-dichlorophenyl)-n'-(hexahydro-1h-azepin-1-yl)- (9ci)
CAS Number(s)
  • 73953-74-9
InChIKey SVFSTKOKXZMLIF-UHFFFAOYSA-N
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Elements H C N O Cl