(2,4-Di(pentan-2-yl)phenoxy)acetyl chloride
Basic information
- CAS
63990-57-8- Standard SMILES
CCCC(C)c1ccc(OCC(=O)Cl)c(C(C)CCC)c1- InChIKey
NGNBDVOYPDDBFK-UHFFFAOYSA-N- Molecular formula
- C18H27ClO2
- Average molar mass
- 310.9 g/mol
- Monoisotopic mass
- 310.1699578
Names & identifiers
- Preferred name
- (2,4-Di(pentan-2-yl)phenoxy)acetyl chloride
- IUPAC
- 2-[2,4-di(pentan-2-yl)phenoxy]acetyl chloride
- English name
- [2,4-Bis(1-methylbutyl)phenoxy]acetic acid chloride
- Molecular formula
- C18H27ClO2
- Molecular weight
- 310.86
Names & synonyms
63990-57-8DTXSID90981773(2,4-Di(pentan-2-yl)phenoxy)acetyl chloride[2,4-Di(pentan-2-yl)phenoxy]acetyl chlorideRefChem:1049599DTXCID301409042Acetyl chloride, (2,4-bis(1-methylbutyl)phenoxy)-Acid chloride2,4-Di-2-amylphenoxyacetyl chlorideBRN 0752190ACETYL CHLORIDE, 2,4-DI-2-AMYLPHENOXY-[2,4-Bis(1-methylbutyl)phenoxy]acetic acid chloride
Show more names
Acetyl chloride, 2-[2,4-bis(1-methylbutyl)phenoxy]-
SCHEMBL25174657DB-300258
Database identifiers
- CAS
63990-57-8- PubChem CID
- 46171
- DTXSID
DTXSID90981773- Nikkaji
- J90.802I
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 189 °C · 189°C (rough estimate)
- Density
- 1.0373 · 1.0373 (estimate)
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Compound notes
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