Basic information
- CAS
42023-66-5- Standard SMILES
O=C(OCc1cccc[nH+]1)C(Cl)c1ccccc1.[Cl-]- InChIKey
LNXCVIKZIRVTIQ-UHFFFAOYSA-N- Molecular formula
- C14H13Cl2NO2
- Average molar mass
- 298.2 g/mol
- Monoisotopic mass
- 297.032334
Names & identifiers
- Preferred name
- (Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- pyridin-1-ium-2-ylmethyl 2-chloro-2-phenylacetate chloride
Names & synonyms
42023-66-5DTXSID30962203(Pyridin-2-yl)methyl chloro(phenyl)acetate--hydrogen chloride (1/1)RefChem:1051038DTXCID201390016ACETIC ACID, 2-CHLORO-2-PHENYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDEF 1171Methanol, 2-pyridyl-, alpha-chlorobenzeneacetate hydrochlorideBenzeneacetic acid, alpha-chloro-, (2-pyridylmethyl) ester, hydrochloride
Database identifiers
- CAS
42023-66-5- PubChem CID
- 39089
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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