Basic information
- CAS
67049-76-7- Standard SMILES
COC(=O)NCC(Cl)Cl- InChIKey
UXQJWCPILRWLLL-UHFFFAOYSA-N- Molecular formula
- C4H7Cl2NO2
- Average molar mass
- 172.01 g/mol
- Monoisotopic mass
- 170.9853839
Names & identifiers
- Preferred name
- Carbamic acid, 2,2-dichloroethyl-, methyl ester
- IUPAC
- methyl N-(2,2-dichloroethyl)carbamate
- English name
- N-(2,2-Dichloroethyl)carbamic acid methyl ester
- Molecular formula
- C4H7Cl2NO2
- Molecular weight
- 172.01
Names & synonyms
CARBAMIC ACID, 2,2-DICHLOROETHYL-, METHYL ESTER67049-76-7RefChem:10808542,2-Dichloroethylcarbamic acid methyl esterBRN 1758796DTXSID60986013Methyl hydrogen (2,2-dichloroethyl)carbonimidateN-(2,2-Dichloroethyl)carbamic acid methyl esterCarbamic acid, (2,2-dichloroethyl)-, methyl ester (9CI)
Database identifiers
- CAS
67049-76-7- PubChem CID
- 49099
- DTXSID
DTXSID60986013- Nikkaji
- J67.561J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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