Home > Compound List > Compound details
36556-51-1 molecular structure
click picture or here to close

2,3-dichloro-1-fluoro-4-nitrobenzene

ChemBase ID: 96981
Molecular Formular: C6H2Cl2FNO2
Molecular Mass: 209.9899832
Monoisotopic Mass: 208.94466189
SMILES and InChIs

SMILES:
[N+](=O)(c1c(c(c(cc1)F)Cl)Cl)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(c(c1Cl)Cl)F
InChI:
InChI=1S/C6H2Cl2FNO2/c7-5-3(9)1-2-4(6(5)8)10(11)12/h1-2H
InChIKey:
QWQJCMSWGFVURH-UHFFFAOYSA-N

Cite this record

CBID:96981 http://www.chembase.cn/molecule-96981.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-1-fluoro-4-nitrobenzene
IUPAC Traditional name
2,3-dichloro-1-fluoro-4-nitrobenzene
Synonyms
2,3-Dichloro-1-fluoro-4-nitrobenzene
2,3-Dichloro-4-fluoronitrobenzene
CAS Number
36556-51-1
MDL Number
MFCD09763598
PubChem SID
162083615
PubChem CID
14876020

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14876020 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2640214  LogD (pH = 7.4) 3.2640214 
Log P 3.2640214  Molar Refractivity 42.2045 cm3
Polarizability 16.05433 Å3 Polar Surface Area 43.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110°C expand Show data source
Density
1.600 expand Show data source
Storage Warning
Toxic expand Show data source
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