2,3-Dibromo-1-chlorobutane

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Basic information

CAS: 111712-50-6
Standard SMILES: CC(Br)C(Br)CCl
InChIKey: MTFBJZBVIWMMQH-UHFFFAOYSA-N
Molecular formula: C4H7Br2Cl
Average molar mass: 250.36 g/mol
Monoisotopic mass: 247.8603

Names & identifiers

Preferred name: 2,3-Dibromo-1-chlorobutane
IUPAC: 2,3-dibromo-1-chlorobutane

Names & synonyms

2,3-dibromo-1-chlorobutane1-Chloro-2,3-dibromobutaneCRU35L2PTA111712-50-6DTXSID60920558RefChem:1059317DTXCID601349465CCRIS 1613BRN 1697533BUTANE, 1-CHLORO-2,3-DIBROMO-UNII-CRU35L2PTA2-01-00-00084 (Beilstein Handbook Reference)

Show more names

Butane, 2,3-dibromo-1-chloro-

Database identifiers

CAS: 111712-50-6
PubChem CID: 60512
DTXSID: DTXSID60920558
UNII: CRU35L2PTA
Nikkaji: J1.683.359B

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 49

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Compound notes

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