Threo-2,3-dibromopentane

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Basic information

CAS: 1616958-70-3
Standard SMILES: CC[C@@H](Br)[C@@H](C)Br
InChIKey: LWBRXRHBXMVUEX-RFZPGFLSSA-N
Molecular formula: C5H10Br2
Average molar mass: 229.94 g/mol
Monoisotopic mass: 227.91493

Names & identifiers

Preferred name: Threo-2,3-dibromopentane
IUPAC: (2R,3R)-2,3-dibromopentane

Names & synonyms

Threo-2,3-dibromopentaneDTXSID90102063222415-73-2RefChem:385580DTXCID601478402(2R,3R)-2,3-dibromopentanePentane, 2,3-dibromo-, threoDTXSID6010206331616958-70-3

Database identifiers

CAS: 1616958-70-3、22415-73-2
PubChem CID: 6537511
DTXSID: DTXSID601020633
Nikkaji: J529.486J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 45.3

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Compound notes

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