Basic information
- CAS
21269-98-7- Standard SMILES
CCCCOC(CBr)c1ccccc1- InChIKey
NNVKBBAQDRJHTJ-UHFFFAOYSA-N- Molecular formula
- C12H17BrO
- Average molar mass
- 257.17 g/mol
- Monoisotopic mass
- 256.04628
Names & identifiers
- Preferred name
- Ether, alpha-(bromomethyl)benzyl butyl
- IUPAC
- (2-bromo-1-butoxyethyl)benzene
- English name
- [α-(Bromomethyl)benzyl]butyl ether
- Molecular formula
- C12H17BrO
- Molecular weight
- 257.17
Names & synonyms
21269-98-7ETHER, alpha-(BROMOMETHYL)BENZYL BUTYLRefChem:1084622(2-bromo-1-butoxyethyl)benzenealpha-(Bromomethyl)benzyl butyl ether[alpha-(Bromomethyl)benzyl]butyl etherBRN 0640006DTXSID10943732AKOS011393245EN300-11333944-06-00-03054 (Beilstein Handbook Reference)Benzene, (2-bromo-1-butoxyethyl)-
Show more names
[α-(Bromomethyl)benzyl]butyl ether
Database identifiers
- CAS
21269-98-7- PubChem CID
- 30560
- DTXSID
DTXSID10943732- Nikkaji
- J61.535H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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