cis-2-(Bromomethyl)-1,3-dioxolane-4-methanol

HCID 111171

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Basic information

CAS: 6204-42-8
Standard SMILES: OC[C@@H]1CO[C@H](CBr)O1
InChIKey: ZSLVLMWYSIERCN-UHNVWZDZSA-N
Molecular formula: C5H9BrO3
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.97351

Names & identifiers

Preferred name: cis-2-(Bromomethyl)-1,3-dioxolane-4-methanol
IUPAC: [(2S,4R)-2-(bromomethyl)-1,3-dioxolan-4-yl]methanol
English name: cis-2-(bromomethyl)-1,3-dioxolane-4-methanol
Molecular formula: C5H9BrO3
Molecular weight: 197.02716

Names & synonyms

6204-42-8[(2s,4r)-2-(bromomethyl)-1,3-dioxolan-4-yl]methanolEINECS 228-272-8cis-2-(Bromomethyl)-1,3-dioxolane-4-methanolDTXSID30977594NS00080850[2-(bromomethyl)-1,3-dioxolan-4-yl]methanol1,3-Dioxolane-4-methanol, 2-(bromomethyl)-, cis- (8CI,9CI)

Database identifiers

CAS: 6204-42-8
PubChem CID: 111171
DTXSID: DTXSID30977594
EC Number: 228-272-8
Nikkaji: J215.962G

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 88.3

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