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Molecule
Forchlorfenuron
CAS: 68157-60-8 · C12H10ClN3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68157-60-8
- Molecular Formula
- C12H10ClN3O
- Molecular Mass
- 247.69 g/mol
Identifiers
CAS Registry Number
68157-60-8
SMILES
OC(=Nc1ccccc1)Nc1ccnc(Cl)c1
InChI Key
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)
Names and Synonyms
- Forchlorfenuron Common Name
- Urea, N-(2-chloro-4-pyridinyl)-N′-phenyl- Synonym
- N-(2-Chloro-4-pyridinyl)-N′-phenylurea Synonym
- 1-(2-Chloro-4-pyridyl)-3-phenylurea Synonym
- N-(2-Chloro-4-pyridyl)-N′-phenylurea Synonym
- N-Phenyl-N′-(2-chloro-4-pyridyl)urea Synonym
- 4PU30 Synonym
- V 3183 Synonym
- CN 11-3138 Synonym
- Forchlorfenuron Synonym
- KT 30 Synonym
- CPPU Synonym
- KT 30 (plant growth regulator) Synonym
- SKW 20010 Synonym
- Fulmet Synonym
- Sitofex Synonym
- Chloropyridylphenyl urea Synonym
- 1-(2-Chloropyridin-4-yl)-3-phenylurea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.69 g/mol | CAS Common Chemistry |
| 247.68499999999997 g/mol | RDKit | |
| 247.685 g/mol | RDKit | |
| 247.682 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Forchlorfenuron | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1)NC=2C=CN=C(Cl)C2 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=GPXLRLUVLMHHIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Forchlorfenuron | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.510000000000005 Ų | RDKit |
| 57.51 Ų | RDKit | |
| 56.98 Ų | chempirical lib | |
| LogP | 3.3926000000000016 | RDKit |
| 3.3926 | RDKit | |
| Molar Refractivity | 69.03550000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 247.05123962 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 247.69 g/mol. Edit any field — others recompute live.
