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MFCD08543437 molecular structure
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2-(2,5-dichlorophenyl)acetyl chloride

ChemBase ID: 92666
Molecular Formular: C8H5Cl3O
Molecular Mass: 223.4837
Monoisotopic Mass: 221.94059782
SMILES and InChIs

SMILES:
O=C(Cc1c(ccc(c1)Cl)Cl)Cl
Canonical SMILES:
ClC(=O)Cc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C8H5Cl3O/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2
InChIKey:
JMYRSGUMKCHSRO-UHFFFAOYSA-N

Cite this record

CBID:92666 http://www.chembase.cn/molecule-92666.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,5-dichlorophenyl)acetyl chloride
IUPAC Traditional name
2-(2,5-dichlorophenyl)acetyl chloride
Synonyms
2,5-Dichlorophenylacetyl chloride
MDL Number
MFCD08543437
PubChem SID
162079364
PubChem CID
26967735

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR9377 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967735 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.588306  H Acceptors
H Donor LogD (pH = 5.5) 3.3524132 
LogD (pH = 7.4) 3.352413  Log P 3.3524132 
Molar Refractivity 50.8337 cm3 Polarizability 19.789516 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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