2-Bromo-1-(4-bromobutoxy)-4-methylbenzene
Basic information
- CAS
76429-79-3- Standard SMILES
Cc1ccc(OCCCCBr)c(Br)c1- InChIKey
QVGOUHOPYHVHBD-UHFFFAOYSA-N- Molecular formula
- C11H14Br2O
- Average molar mass
- 322.04 g/mol
- Monoisotopic mass
- 319.94114
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene
- IUPAC
- 2-bromo-1-(4-bromobutoxy)-4-methylbenzene
Names & synonyms
76429-79-32-bromo-1-(4-bromobutoxy)-4-methylbenzeneNSC338427DTXSID40318999NSC-3384272-Bromo-1-(4-bromo-butoxy)-4-methyl-benzene
Database identifiers
- CAS
76429-79-3- PubChem CID
- 334093
- DTXSID
DTXSID40318999
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
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Compound notes
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