2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)acetic acid
Basic information
- CAS
100345-10-6- Standard SMILES
CCCCCC(C)(C)c1ccc(OCCOCC(=O)O)c(Br)c1- InChIKey
LQAOHLKNSSZDDD-UHFFFAOYSA-N- Molecular formula
- C18H27BrO4
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.10927
Names & identifiers
- Preferred name
- 2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)acetic acid
- IUPAC
- 2-[2-[2-bromo-4-(2-methylheptan-2-yl)phenoxy]ethoxy]acetic acid
Names & synonyms
2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)acetic acid100345-10-6DTXSID20143201{2-[2-BROMO-4-(2-METHYLHEPTAN-2-YL)PHENOXY]ETHOXY}ACETIC ACID
Database identifiers
- CAS
100345-10-6- PubChem CID
- 180874
- DTXSID
DTXSID20143201
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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