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Molecule
Chlorpropham
CAS: 101-21-3 · C10H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-21-3
- Molecular Formula
- C10H12ClNO2
- Molecular Mass
- 213.66 g/mol
Identifiers
CAS Registry Number
101-21-3
SMILES
CC(C)OC(O)=Nc1cccc(Cl)c1
InChI Key
CWJSHJJYOPWUGX-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
Names and Synonyms
- Chlorpropham Common Name
- Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester Synonym
- Carbanilic acid, m-chloro-, isopropyl ester Synonym
- Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester Synonym
- Y 3 Synonym
- Chloro-IPC Synonym
- Chloropropham Synonym
- Chlorpropham Synonym
- CI-IPC Synonym
- CIPC Synonym
- Elbanil Synonym
- Isopropyl 3-chlorocarbanilate Synonym
- Isopropyl N-(3-chlorophenyl)carbamate Synonym
- Metoxon Synonym
- Preventol 56 Synonym
- Triherbicide CIPC Synonym
- Chlor IFC Synonym
- Isopropyl m-chlorocarbanilate Synonym
- Nexoval Synonym
- Preventol Synonym
- Liro CIPC Synonym
- Chlor IPC Synonym
- m-Chlorocarbanilic acid isopropyl ester Synonym
- Furloe 3EC Synonym
- Isopropyl N-(m-chlorophenyl)carbamate Synonym
- Chlor IFK Synonym
- Cl-IFK Synonym
- Furloe Synonym
- Bygran Synonym
- Mirvale Synonym
- Bud Nip Synonym
- Keim-Stop Synonym
- IPCPC Synonym
- NSC 29466 Synonym
- Shield Potato Sprout Inhibitor Synonym
- Neo Stop 5 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.66 g/mol | CAS Common Chemistry |
| 213.66400000000002 g/mol | RDKit | |
| 213.664 g/mol | RDKit | |
| 213.661 g/mol | chempirical lib | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.180 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorpropham | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)NC=1C=CC=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=CWJSHJJYOPWUGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40.7-41.1 °C | CAS Common Chemistry |
| Name | Chlorpropham | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 3.310500000000002 | RDKit |
| 3.3105 | RDKit | |
| Molar Refractivity | 57.396800000000034 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 213.055656304 g/mol | RDKit |
| Boiling Point | 149 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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 = 213.66 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12ClNO2.
