Basic information
- CAS
67049-75-6- Standard SMILES
CCOC(=O)NCC(Cl)Cl- InChIKey
MEERJFMBBHOFSP-UHFFFAOYSA-N- Molecular formula
- C5H9Cl2NO2
- Average molar mass
- 186.03 g/mol
- Monoisotopic mass
- 185.0010339
Names & identifiers
- Preferred name
- Carbamic acid, 2,2-dichloroethyl-, ethyl ester
- IUPAC
- ethyl N-(2,2-dichloroethyl)carbamate
- English name
- N-(2,2-Dichloroethyl)carbamic acid ethyl ester
- Molecular formula
- C5H9Cl2NO2
- Molecular weight
- 186.04
Names & synonyms
2,2-Dichloroethylcarbamic acid ethyl esterCARBAMIC ACID, 2,2-DICHLOROETHYL-, ETHYL ESTERBRN 176222267049-75-6DTXSID802173362-04-00-00618 (Beilstein Handbook Reference)RefChem:332259DTXCID80139827SCHEMBL10623264Ethyl (2,2-dichloroethyl)carbamateN-(2,2-Dichloroethyl)carbamic acid ethyl esterCarbamic acid, (2,2-dichloroethyl)-, ethyl ester (9CI)
Database identifiers
- CAS
67049-75-6- PubChem CID
- 49098
- DTXSID
DTXSID80217336- Nikkaji
- J67.560A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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