(R)-methyl 5-iodo-2-(pyrrolidin-2-yl)benzoate

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Basic information

CAS: 1217615-09-2
Standard SMILES: COC(=O)c1cc(I)ccc1[C@H]1CCCN1
InChIKey: OWEFKEHDJNUTPJ-LLVKDONJSA-N
Molecular formula: C12H14INO2
Average molar mass: 331.15 g/mol
Monoisotopic mass: 331.00693

Names & identifiers

Preferred name: (R)-methyl 5-iodo-2-(pyrrolidin-2-yl)benzoate
IUPAC: methyl 5-iodo-2-[(2R)-pyrrolidin-2-yl]benzoate

Names & synonyms

(R)-methyl 5-iodo-2-(pyrrolidin-2-yl)benzoate1217615-09-2(R)-Methyl5-iodo-2-(pyrrolidin-2-yl)benzoateDTXSID60662360AKOS015852274AKOS015922766DB-344883methyl 5-iodo-2-[(2R)-pyrrolidin-2-yl]benzoate

Database identifiers

CAS: 1217615-09-2
PubChem CID: 45072088
DTXSID: DTXSID60662360

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 259

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