Basic information
- CAS
67049-74-5- Standard SMILES
CCCCOC(=O)NCC(Cl)Cl- InChIKey
GDQLPESNAZVUEC-UHFFFAOYSA-N- Molecular formula
- C7H13Cl2NO2
- Average molar mass
- 214.09 g/mol
- Monoisotopic mass
- 213.032334
Names & identifiers
- Preferred name
- Carbamic acid, 2,2-dichloroethyl-, butyl ester
- IUPAC
- butyl N-(2,2-dichloroethyl)carbamate
- English name
- N-(2,2-Dichloroethyl)carbamic acid butyl ester
- Molecular formula
- C7H13Cl2NO2
- Molecular weight
- 214.09
Names & synonyms
2,2-Dichloroethylcarbamic acid butyl esterCARBAMIC ACID, 2,2-DICHLOROETHYL-, BUTYL ESTER67049-74-5DTXSID20217335RefChem:332258DTXCID20139826Butyl (2,2-dichloroethyl)carbamateN-(2,2-Dichloroethyl)carbamic acid butyl esterCarbamic acid, (2,2-dichloroethyl)-, butyl ester (9CI)
Database identifiers
- CAS
67049-74-5- PubChem CID
- 49097
- DTXSID
DTXSID20217335- Nikkaji
- J67.559H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…