Basic information
- CAS
3545-41-3- Standard SMILES
O=C(O)c1ccccc1OC(=O)C(Cl)Cl- InChIKey
MQTWHLCJRJABMW-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O4
- Average molar mass
- 249.04 g/mol
- Monoisotopic mass
- 247.9643141
Names & identifiers
- Preferred name
- Salicylic acid, dichloroacetate
- IUPAC
- 2-(2,2-dichloroacetyl)oxybenzoic acid
- English name
- 2-[(Dichloroacetyl)oxy]benzoic acid
- Molecular weight
- 0
Names & synonyms
Salicylic acid, dichloroacetate3545-41-3DTXSID20188955RefChem:1098319DTXCID80111446O-Dichloroacetylsalicylic acidAcetic acid, dichloro-, ester with salicylic acidBRN 25859722-[(Dichloroacetyl)oxy]benzoic acid
Database identifiers
- CAS
3545-41-3- PubChem CID
- 77085
- DTXSID
DTXSID20188955- Nikkaji
- J48.320F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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