3,4-Dichloro-2-propylphenol

HCID 600360
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Basic information

CAS
54932-67-1
Standard SMILES
CCCc1c(O)ccc(Cl)c1Cl
InChIKey
BXYFAUOKSLXETI-UHFFFAOYSA-N
Molecular formula
C9H10Cl2O
Average molar mass
205.08 g/mol
Monoisotopic mass
204.0108703

Names & identifiers

Preferred name
3,4-Dichloro-2-propylphenol
IUPAC
3,4-dichloro-2-propylphenol
English name
3,4-Dichloro-2-propylphenol
Molecular formula
C9H10Cl2O
Molecular weight
205.08

Names & synonyms

54932-67-13,4-Dichloro-2-propylphenolPhenol, 3,4-dichloro-2-propyl-2-propyl-3,4dichlorophenol2-propyl-3,4-dichlorophenolSCHEMBL76939143,4-Dichloro-2-propylphenol #DTXSID40344915DA-24771

Database identifiers

CAS
54932-67-1
PubChem CID
600360
DTXSID
DTXSID40344915
Nikkaji
J101.644J

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
280.2 · 280.2±35.0 °C(Predicted)
Density
1.273 · 1.273±0.06 g/cm3(Predicted)
pka
9.09 · 9.09±0.23(Predicted)

Related reactions

6 records
New reaction record

Compound notes

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