Home > Compound List > Compound details
364-75-0 molecular structure
click picture or here to close

1-fluoro-4-iodo-2-nitrobenzene

ChemBase ID: 294840
Molecular Formular: C6H3FINO2
Molecular Mass: 266.9963932
Monoisotopic Mass: 266.91925456
SMILES and InChIs

SMILES:
Fc1c(cc(I)cc1)[N+](=O)[O-]
Canonical SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])F
InChI:
InChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKey:
KUJTZQXHTBKAMO-UHFFFAOYSA-N

Cite this record

CBID:294840 http://www.chembase.cn/molecule-294840.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-4-iodo-2-nitrobenzene
IUPAC Traditional name
1-fluoro-4-iodo-2-nitrobenzene
Synonyms
2-Fluoro-5-iodonitrobenzene
Benzene, 1-fluoro-4-iodo-2-nitro-
1-fluoro-4-iodo-2-nitrobenzene
CAS Number
364-75-0
MDL Number
MFCDN/A98N/AN/A783
PubChem SID
180680371
PubChem CID
14590582

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14590582 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 43.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.9848764 
LogD (pH = 7.4) 2.9848764  Log P 2.9848764 
Molar Refractivity 45.9574 cm3 Polarizability 17.49552 Å3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source
98% 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