Home > Compound List > Compound details
1263378-40-0 molecular structure
click picture or here to close

2-chloro-3-fluoro-6-methoxybenzaldehyde

ChemBase ID: 797821
Molecular Formular: C8H6ClFO2
Molecular Mass: 188.5834432
Monoisotopic Mass: 188.00403533
SMILES and InChIs

SMILES:
c1(c(c(ccc1OC)F)Cl)C=O
Canonical SMILES:
O=Cc1c(OC)ccc(c1Cl)F
InChI:
InChI=1S/C8H6ClFO2/c1-12-7-3-2-6(10)8(9)5(7)4-11/h2-4H,1H3
InChIKey:
ZMHNXAZNZZEWIN-UHFFFAOYSA-N

Cite this record

CBID:797821 http://www.chembase.cn/molecule-797821.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoro-6-methoxybenzaldehyde
IUPAC Traditional name
2-chloro-3-fluoro-6-methoxybenzaldehyde
Synonyms
2-Chloro-3-fluoro-6-methoxy-benzaldehyde
CAS Number
1263378-40-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9827 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9827 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2748234  LogD (pH = 7.4) 2.2748234 
Log P 2.2748234  Molar Refractivity 44.1264 cm3
Polarizability 16.45443 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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