Forchlorfenuron

C12H10ClN3OCAS 68157-60-8247.68 g/mol

Open in Covalent MOL file
OHNNHNCl
Aryl halide

Properties

Molecular formula
C12H10ClN3O
Molar mass
247.68 g/mol
Exact mass
247.0512 Da
Density
1.3839 g/mL (at 25 °C)
Melting point
167 °C
pKa
2.5, 12.25
logP
3.39Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Health Hazard (GHS08)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 613-254-00-8), via PubChem.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number
68157-60-8
SMILES
OC(=Nc1ccccc1)Nc1ccnc(Cl)c1
InChIKey
GPXLRLUVLMHHIK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)

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Names and synonyms

16 names · show all
  • Urea, N-(2-chloro-4-pyridinyl)-N′-phenyl-
  • N-(2-Chloro-4-pyridinyl)-N′-phenylurea
  • 1-(2-Chloro-4-pyridyl)-3-phenylurea
  • N-(2-Chloro-4-pyridyl)-N′-phenylurea
  • N-Phenyl-N′-(2-chloro-4-pyridyl)urea
  • 4PU30
  • V 3183
  • CN 11-3138
  • KT 30
  • CPPU
  • KT 30 (plant growth regulator)
  • SKW 20010
  • Fulmet
  • Sitofex
  • Chloropyridylphenyl urea
  • 1-(2-Chloropyridin-4-yl)-3-phenylurea

Work with Forchlorfenuron

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diphenylurea102-07-857 % similar N-(2-Chloropyridin-4-yl)acetamide13602-82-948 % similar Thidiazuron51707-55-246 % similar 4-Phenylsemicarbazide537-47-341 % similar Imidocarb27885-92-340 % similar Triclocarban101-20-239 % similar 2-Chloroisonicotinic acid6313-54-838 % similar N,N′,N′′-Triphenylguanidine101-01-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia