Ether, alpha-(bromomethyl)benzyl sec-butyl

HCID 30561

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 21269-99-8
Standard SMILES: CCC(C)OC(CBr)c1ccccc1
InChIKey: GSTYZNBELHTTJX-UHFFFAOYSA-N
Molecular formula: C12H17BrO
Average molar mass: 257.17 g/mol
Monoisotopic mass: 256.04628

Names & identifiers

Preferred name: Ether, alpha-(bromomethyl)benzyl sec-butyl
IUPAC: (2-bromo-1-butan-2-yloxyethyl)benzene
English name: [α-(Bromomethyl)benzyl]sec-butyl ether
Molecular formula: C12H17BrO
Molecular weight: 257.17

Names & synonyms

21269-99-8alpha-(Bromomethyl)benzyl sec-butyl etherBRN 2364290ETHER, alpha-(BROMOMETHYL)BENZYL sec-BUTYLRefChem:341548[2-bromo-1-(butan-2-yloxy)ethyl]benzene(2-Bromo-1-(sec-butoxy)ethyl)benzene[alpha-(Bromomethyl)benzyl]sec-butyl etherDTXSID70943733AKOS011393617CS-0278846{2-Bromo-1-[(butan-2-yl)oxy]ethyl}benzene

Show more names

[α-(Bromomethyl)benzyl]sec-butyl etherBenzene, [2-bromo-1-(1-methylpropoxy)ethyl]-

EN300-1133393

Database identifiers

CAS: 21269-99-8
PubChem CID: 30561
DTXSID: DTXSID70943733
Nikkaji: J61.536F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 143

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…