Basic information
- CAS
130490-95-8- Standard SMILES
COC(=O)C(=O)c1ccccc1CCl- InChIKey
MWQGXVKNBHHBES-UHFFFAOYSA-N- Molecular formula
- C10H9ClO3
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.02402183
Names & identifiers
- Preferred name
- Methyl 2-(chloromethyl)-phenylglyoxylate
- IUPAC
- methyl 2-[2-(chloromethyl)phenyl]-2-oxoacetate
Names & synonyms
130490-95-8methyl 2-(chloromethyl)-phenylglyoxylateSCHEMBL3306441MWQGXVKNBHHBES-UHFFFAOYSA-NDTXSID701264173Methyl [2-(chloromethyl)phenyl](oxo)acetateMethyl 2-(2-(chloromethyl)phenyl)-2-oxoacetateMethyl 2-(chloromethyl)-I+/--oxobenzeneacetateo-Chloromethyl-Phenylglyoxylic Acid Methyl Ester
Database identifiers
- CAS
130490-95-8- PubChem CID
- 14697243
- DTXSID
DTXSID701264173- EC Number
- 603-420-8
- Nikkaji
- J3.655.705B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
6 records
Compound notes
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