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422-98-0 molecular structure
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1,1,1,2,3,3,3-heptafluoro-2-nitrosopropane

ChemBase ID: 97886
Molecular Formular: C3F7NO
Molecular Mass: 199.0270224
Monoisotopic Mass: 198.98681117
SMILES and InChIs

SMILES:
FC(C(F)(F)F)(C(F)(F)F)N=O
Canonical SMILES:
O=NC(C(F)(F)F)(C(F)(F)F)F
InChI:
InChI=1S/C3F7NO/c4-1(11-12,2(5,6)7)3(8,9)10
InChIKey:
WOJKTSOYJLOODF-UHFFFAOYSA-N

Cite this record

CBID:97886 http://www.chembase.cn/molecule-97886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2,3,3,3-heptafluoro-2-nitrosopropane
IUPAC Traditional name
1,1,1,2,3,3,3-heptafluoro-2-nitrosopropane
Synonyms
1,1,1,2,3,3,3-Heptafluoro-2-nitrosopropane
Perfluoro(2-nitrosopropane) 98%
CAS Number
422-98-0
MDL Number
MFCD00042318
PubChem SID
162084395
PubChem CID
2774928

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC4952 external link Add to cart Please log in.
Data Source Data ID
PubChem 2774928 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4997122  LogD (pH = 7.4) 2.4997122 
Log P 2.4997122  Molar Refractivity 20.4964 cm3
Polarizability 7.835521 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
-13°C expand Show data source
Storage Warning
Toxic expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC4952 external link
Stainless steel cylinder - 1/4" NPT connection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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