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Molecule
4-Dichloroacetyl-1-Oxa-4-Azaspiro[4.5]Decane
CAS: 71526-07-3 · C10H15Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71526-07-3
- Molecular Formula
- C10H15Cl2NO2
- Molecular Mass
- 252.14 g/mol
Identifiers
CAS Registry Number
71526-07-3
SMILES
O=C(C(Cl)Cl)N1CCOC12CCCCC2
InChI Key
QWWHRELOCZEQNZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2
Names and Synonyms
- 4-Dichloroacetyl-1-Oxa-4-Azaspiro[4.5]Decane Synonym
- Ethanone, 2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)- Synonym
- 1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)- Synonym
- 2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone Synonym
- AD 67 Synonym
- MON 4660 Synonym
- 4-Dichloroacetyl-1-oxa-4-azaspiro[4.5]decane Synonym
- 2,2-Dichloro-1-(1-oxa-4-azaspiro [4.5] Deccan-4-yl)ethane-1-on Synonym
- AD-67 Synonym
- 2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.14 g/mol | CAS Common Chemistry |
| 252.1409999999999 g/mol | RDKit | |
| 252.141 g/mol | RDKit | |
| 252.135 g/mol | chempirical lib | |
| Canonical SMILES | O=C(N1CCOC12CCCCC2)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QWWHRELOCZEQNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Dichloroacetyl-1-oxa-4-azaspiro[4.5]decane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 2.3093000000000004 | RDKit |
| 2.3093 | RDKit | |
| Molar Refractivity | 58.97500000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 251.04798408 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 252.14 g/mol. Edit any field — others recompute live.
