(Z)-2-Chloro-3-(bromomethyl)oxirane

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Basic information

CAS: 129176-04-1
Standard SMILES: Cl[C@@H]1O[C@@H]1CBr
InChIKey: CYVGBDSVULTHJK-PWNYCUMCSA-N
Molecular formula: C3H4BrClO
Average molar mass: 171.42 g/mol
Monoisotopic mass: 169.91341

Names & identifiers

Preferred name: (Z)-2-Chloro-3-(bromomethyl)oxirane
IUPAC: (2S,3S)-2-(bromomethyl)-3-chlorooxirane
English name: (2S,3S)-2-(bromomethyl)-3-chloro-oxirane
Molecular formula: C3H4BrClO
Molecular weight: 0

Names & synonyms

129176-04-1(Z)-2-Chloro-3-(bromomethyl)oxirane(2S,3S)-2-(bromomethyl)-3-chlorooxiraneCCRIS 3855cis-2-(Bromomethyl)-3-chlorooxiraneOxirane, 2-(bromomethyl)-3-chloro-, cis-(2S,3S)-2-(BROMOMETHYL)-3-CHLORO-OXIRANEDTXSID60926313

Database identifiers

CAS: 129176-04-1
PubChem CID: 148133
DTXSID: DTXSID60926313

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 58.8

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