Home > Compound List > Compound details
148388-74-3 molecular structure
click picture or here to close

1,5-difluoro-2-iodo-4-nitrobenzene

ChemBase ID: 98168
Molecular Formular: C6H2F2INO2
Molecular Mass: 284.9868564
Monoisotopic Mass: 284.90983275
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(c(cc1F)F)I)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc(I)c(cc1F)F
InChI:
InChI=1S/C6H2F2INO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChIKey:
FTPUDNRHVGHDGA-UHFFFAOYSA-N

Cite this record

CBID:98168 http://www.chembase.cn/molecule-98168.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-difluoro-2-iodo-4-nitrobenzene
IUPAC Traditional name
1,5-difluoro-2-iodo-4-nitrobenzene
Synonyms
1,5-Difluoro-2-iodo-4-nitrobenzene
2,4-Difluoro-5-iodonitrobenzene
CAS Number
148388-74-3
PubChem SID
162084627
PubChem CID
10334108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC51101 external link Add to cart Please log in.
Data Source Data ID
PubChem 10334108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1275783  LogD (pH = 7.4) 3.1275783 
Log P 3.1275783  Molar Refractivity 47.178 cm3
Polarizability 17.470768 Å3 Polar Surface Area 45.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Light Sensitive 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