Thiocyanic acid, 2-(2-(2,4-dichlorophenoxy)acetamido)ethyl ester
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Basic information
- CAS
21726-82-9- Standard SMILES
N#CSCCNC(=O)COc1ccc(Cl)cc1Cl- InChIKey
MZMHGFJKTWJEQP-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2O2S
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 303.9840041
Names & identifiers
- Preferred name
- Thiocyanic acid, 2-(2-(2,4-dichlorophenoxy)acetamido)ethyl ester
- IUPAC
- 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl thiocyanate
- English name
- Thiocyanic acid 2-[2-(2,4-dichlorophenoxy)acetylamino]ethyl ester
- Molecular formula
- C11H10Cl2N2O2S
- Molecular weight
- 305.18
Names & synonyms
21726-82-9BRN 1996423Thiocyanic acid, 2-(2-(2,4-dichlorophenoxy)acetamido)ethyl esterDTXSID40176117N-(2-(Thiocyanato)ethyl)-2-(2,4-dichlorophenoxy)acetamideRefChem:385108DTXCID30986082-[2-(2,4-Dichlorophenoxy)acetamido]ethyl thiocyanateThiocyanic acid 2-[2-(2,4-dichlorophenoxy)acetylamino]ethyl ester
Database identifiers
- CAS
21726-82-9- PubChem CID
- 210831
- DTXSID
DTXSID40176117- Nikkaji
- J48.844E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
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Compound notes
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