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Molecule
Propachlor
CAS: 1918-16-7 · C11H14ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1918-16-7
- Molecular Formula
- C11H14ClNO
- Molecular Mass
- 211.69 g/mol
Identifiers
CAS Registry Number
1918-16-7
SMILES
CC(C)N(C(=O)CCl)c1ccccc1
InChI Key
MFOUDYKPLGXPGO-UHFFFAOYSA-N
InChI
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Names and Synonyms
- Propachlor Common Name
- Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl- Synonym
- Acetanilide, 2-chloro-N-isopropyl- Synonym
- 2-Chloro-N-(1-methylethyl)-N-phenylacetamide Synonym
- CP 31393 Synonym
- 2-Chloro-N-isopropylacetanilide Synonym
- N-Isopropyl-α-chloroacetanilide Synonym
- Ramrod 65 Synonym
- Propachlore Synonym
- Propachlor Synonym
- Ramrod Synonym
- α-Chloro-N-isopropylacetanilide Synonym
- N-Isopropyl-2-chloroacetanilide Synonym
- Satecid Synonym
- 2-Chloro-N-isopropyl-N-phenylacetamide Synonym
- Niticid Synonym
- Bexton 4L Synonym
- Bexton Synonym
- Kartex A Synonym
- Acilid Synonym
- Muharicid Synonym
- Albrass Synonym
- Ramrod Flo Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.69 g/mol | CAS Common Chemistry |
| 211.69200000000004 g/mol | RDKit | |
| 211.692 g/mol | RDKit | |
| 211.689 g/mol | chempirical lib | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.242 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propachlor | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C(C)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MFOUDYKPLGXPGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-76 °C | CAS Common Chemistry |
| Name | Propachlor | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.666800000000001 | RDKit |
| 2.6668 | RDKit | |
| 2.84 | chempirical lib | |
| Molar Refractivity | 59.78400000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 211.076391748 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.03 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 = 211.69 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14ClNO.
