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22303-34-0 molecular structure
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2-chloro-N-(2,4,6-trichlorophenyl)acetamide

ChemBase ID: 62563
Molecular Formular: C8H5Cl4NO
Molecular Mass: 272.9434
Monoisotopic Mass: 270.91252451
SMILES and InChIs

SMILES:
c1(c(cc(cc1Cl)Cl)Cl)NC(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1c(Cl)cc(cc1Cl)Cl
InChI:
InChI=1S/C8H5Cl4NO/c9-3-7(14)13-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H,13,14)
InChIKey:
PXPBIOJVDMLMKK-UHFFFAOYSA-N

Cite this record

CBID:62563 http://www.chembase.cn/molecule-62563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2,4,6-trichlorophenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2,4,6-trichlorophenyl)acetamide
Synonyms
2-Chloro-N-(2,4,6-trichloro-phenyl)-acetamide
2-chloro-N-(2,4,6-trichlorophenyl)acetamide
CAS Number
22303-34-0
MDL Number
MFCD00018890
PubChem SID
162028302
PubChem CID
31122

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 31122 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.35315  H Acceptors
H Donor LogD (pH = 5.5) 3.5604334 
LogD (pH = 7.4) 3.560388  Log P 3.560434 
Molar Refractivity 60.0886 cm3 Polarizability 22.914192 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.592 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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