Home > Compound List > Compound details
121806-76-6 molecular structure
click picture or here to close

2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide

ChemBase ID: 234357
Molecular Formular: C8H4Cl5NO
Molecular Mass: 307.38846
Monoisotopic Mass: 304.87355215
SMILES and InChIs

SMILES:
c1(c(c(cc(c1Cl)Cl)Cl)Cl)NC(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1c(Cl)c(Cl)cc(c1Cl)Cl
InChI:
InChI=1S/C8H4Cl5NO/c9-2-5(15)14-8-6(12)3(10)1-4(11)7(8)13/h1H,2H2,(H,14,15)
InChIKey:
JKLYTUFJGMKSTB-UHFFFAOYSA-N

Cite this record

CBID:234357 http://www.chembase.cn/molecule-234357.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide
Synonyms
2-chloro-N-(2,3,5,6-tetrachlorophenyl)acetamide
CAS Number
121806-76-6
MDL Number
MFCD06356476
PubChem SID
164290267
PubChem CID
2497516

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-09383 external link Add to cart Please log in.
Data Source Data ID
PubChem 2497516 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.145832  H Acceptors
H Donor LogD (pH = 5.5) 4.164478 
LogD (pH = 7.4) 4.1644044  Log P 4.164479 
Molar Refractivity 64.8934 cm3 Polarizability 24.946535 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.196 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle