Basic information
- CAS
100125-99-3- Standard SMILES
CC1(c2ccc(Br)cc2)OCC(CO)O1- InChIKey
IQLLWQIEWGCXLG-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2-(p-bromophenyl)-2-methyl-
- IUPAC
- [2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Names & synonyms
2-(p-Bromophenyl)-2-methyl-1,3-dioxolane-4-methanol100125-99-31,3-DIOXOLANE-4-METHANOL, 2-(p-BROMOPHENYL)-2-METHYL-RefChem:218986[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanolDTXSID50905218
Database identifiers
- CAS
100125-99-3- PubChem CID
- 57628
- DTXSID
DTXSID50905218
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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