Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl

HCID 30563

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Basic information

CAS: 21270-01-9
Standard SMILES: CCC(C)OC(CBr)c1cccc(Cl)c1
InChIKey: KMKOFKBXRUWRID-UHFFFAOYSA-N
Molecular formula: C12H16BrClO
Average molar mass: 291.61 g/mol
Monoisotopic mass: 290.00731

Names & identifiers

Preferred name: Ether, alpha-(bromomethyl)-m-chlorobenzyl sec-butyl
IUPAC: 1-(2-bromo-1-butan-2-yloxyethyl)-3-chlorobenzene

Names & synonyms

21270-01-9BRN 0782432alpha-(Bromomethyl)-m-chlorobenzyl sec-butyl etherETHER, alpha-(BROMOMETHYL)-m-CHLOROBENZYL sec-BUTYLRefChem:3415331-[2-bromo-1-(butan-2-yloxy)ethyl]-3-chlorobenzene1-(2-Bromo-1-(sec-butoxy)ethyl)-3-chlorobenzeneDTXSID90943735AKOS011393786CS-0299774EN300-11332281-(2-bromo-1-sec-butoxy-ethyl)-3-chloro-benzene

Show more names

1-{2-Bromo-1-[(butan-2-yl)oxy]ethyl}-3-chlorobenzene

Database identifiers

CAS: 21270-01-9
PubChem CID: 30563
DTXSID: DTXSID90943735
Nikkaji: J61.539K

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 177

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