Home > Compound List > Compound details
681435-09-6 molecular structure
click picture or here to close

2,4-dichloro-6-fluorobenzaldehyde

ChemBase ID: 52992
Molecular Formular: C7H3Cl2FO
Molecular Mass: 193.0025232
Monoisotopic Mass: 191.9544983
SMILES and InChIs

SMILES:
c1(cc(cc(c1C=O)Cl)Cl)F
Canonical SMILES:
O=Cc1c(F)cc(cc1Cl)Cl
InChI:
InChI=1S/C7H3Cl2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey:
KDTLZLPZFUJFRU-UHFFFAOYSA-N

Cite this record

CBID:52992 http://www.chembase.cn/molecule-52992.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-fluorobenzaldehyde
IUPAC Traditional name
2,4-dichloro-6-fluorobenzaldehyde
Synonyms
2,4-Dichloro-6-fluorobenzaldehyde
CAS Number
681435-09-6
MDL Number
MFCD12404935
PubChem SID
162057755
PubChem CID
22026356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057708 external link Add to cart Please log in.
Data Source Data ID
PubChem 22026356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0365396  LogD (pH = 7.4) 3.0365396 
Log P 3.0365396  Molar Refractivity 42.468 cm3
Polarizability 15.849752 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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

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