Basic information
- CAS
83181-43-5- Standard SMILES
CCC(c1ccc(O)cc1)C(C[77Br])c1ccc(O)cc1- InChIKey
DXBQUTUBYLSLOU-LYUARWLDSA-N- Molecular formula
- C17H19BrO2
- Average molar mass
- 332.25 g/mol
- Monoisotopic mass
- 332.05988
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bromonorhexestrol
- IUPAC
- 4-[1-(77Br)bromo-2-(4-hydroxyphenyl)pentan-3-yl](77Br)phenol
- English name
- Bromonorhexestrol
- Molecular formula
- C17H19BrO2
- Molecular weight
- 333.21756
Names & synonyms
Bromonorhexestrol1-Bromo-2,3-bis(4-hydroxyphenyl)pentane83181-43-5RefChem:121611DTXSID1010031854,4'-[1-(~77~Br)Bromopentane-2,3-diyl]diphenolPhenol, 4,4'-(1-(bromo-77Br-methyl)-2-ethyl-1,2-ethanediyl)bis-, (R*,S*)-
Database identifiers
- CAS
83181-43-5- PubChem CID
- 44144530
- DTXSID
DTXSID101003185
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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