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141743-49-9 molecular structure
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2,6-difluoro-4-iodoaniline

ChemBase ID: 98620
Molecular Formular: C6H4F2IN
Molecular Mass: 255.0039364
Monoisotopic Mass: 254.93565357
SMILES and InChIs

SMILES:
Nc1c(cc(cc1F)I)F
Canonical SMILES:
Ic1cc(F)c(c(c1)F)N
InChI:
InChI=1S/C6H4F2IN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChIKey:
HCUZNQLIMDDCHF-UHFFFAOYSA-N

Cite this record

CBID:98620 http://www.chembase.cn/molecule-98620.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-difluoro-4-iodoaniline
IUPAC Traditional name
2,6-difluoro-4-iodoaniline
Synonyms
2,6-Difluoro-4-iodoaniline
2,6-Difluoro-4-iodoaniline 98%
CAS Number
141743-49-9
MDL Number
MFCD07774189
PubChem SID
162085016
PubChem CID
278943

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 278943 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.563708  H Acceptors
H Donor LogD (pH = 5.5) 2.358665 
LogD (pH = 7.4) 2.358668  Log P 2.3586683 
Molar Refractivity 44.5537 cm3 Polarizability 16.43976 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
77-79°C expand Show data source
Storage Warning
Toxic/Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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