Home > Compound List > Compound details
143306-27-8 molecular structure
click picture or here to close

2-fluoro-6-nitrobenzonitrile

ChemBase ID: 796141
Molecular Formular: C7H3FN2O2
Molecular Mass: 166.1093232
Monoisotopic Mass: 166.01785557
SMILES and InChIs

SMILES:
c1(c(cccc1[N+](=O)[O-])F)C#N
Canonical SMILES:
N#Cc1c(F)cccc1[N+](=O)[O-]
InChI:
InChI=1S/C7H3FN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
InChIKey:
DOHMTOMVCPKOEE-UHFFFAOYSA-N

Cite this record

CBID:796141 http://www.chembase.cn/molecule-796141.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-6-nitrobenzonitrile
IUPAC Traditional name
2-fluoro-6-nitrobenzonitrile
Synonyms
2-Fluoro-6-nitrobenzonitrile
CAS Number
143306-27-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1630 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1630 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) 1.9120281  LogD (pH = 7.4) 1.9120281 
Log P 1.9120281  Molar Refractivity 38.3165 cm3
Polarizability 13.862323 Å3 Polar Surface Area 66.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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