Home > Compound List > Compound details
MFCD00672968 molecular structure
click picture or here to close

1-chloro-4-iodo-2-methoxybenzene

ChemBase ID: 91106
Molecular Formular: C7H6ClIO
Molecular Mass: 268.47941
Monoisotopic Mass: 267.91519049
SMILES and InChIs

SMILES:
O(c1c(ccc(c1)I)Cl)C
Canonical SMILES:
COc1cc(I)ccc1Cl
InChI:
InChI=1S/C7H6ClIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKey:
JFOAEMJHYWJFHL-UHFFFAOYSA-N

Cite this record

CBID:91106 http://www.chembase.cn/molecule-91106.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-4-iodo-2-methoxybenzene
IUPAC Traditional name
1-chloro-4-iodo-2-methoxybenzene
Synonyms
2-Chloro-5-iodoanisole
MDL Number
MFCD00672968
PubChem SID
162077810
PubChem CID
11587088

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6602 external link Add to cart Please log in.
Data Source Data ID
PubChem 11587088 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3485637  LogD (pH = 7.4) 3.3485637 
Log P 3.3485637  Molar Refractivity 50.6885 cm3
Polarizability 20.01319 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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