Basic information
- CAS
4530-31-8- Standard SMILES
O=C(NC(CO)C(=O)O)C(Cl)Cl- InChIKey
POBGWTZPKSVJFM-UHFFFAOYSA-N- Molecular formula
- C5H7Cl2NO4
- Average molar mass
- 216.02 g/mol
- Monoisotopic mass
- 214.9752131
Names & identifiers
- Preferred name
- N-Dichloroacetyl-DL-serine
- IUPAC
- 2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
Names & synonyms
N-Dichloroacetyl-DL-serine4530-31-8N-(Dichloroacetyl)-DL-serineDL-Serine, N-(dichloroacetyl)-EINECS 224-865-0N-(Dichloroacetyl)serinePOBGWTZPKSVJFM-UHFFFAOYSA-NDTXSID601017014NSC24854NSC 24854NSC-24854
Database identifiers
- CAS
4530-31-8- PubChem CID
- 31065
- DTXSID
DTXSID601017014- EC Number
- 224-865-0
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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