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2169-67-7 molecular structure
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2-bromo-2,2-difluoroacetamide

ChemBase ID: 11839
Molecular Formular: C2H2BrF2NO
Molecular Mass: 173.9441864
Monoisotopic Mass: 172.92878213
SMILES and InChIs

SMILES:
C(=O)(C(F)(F)Br)N
Canonical SMILES:
NC(=O)C(Br)(F)F
InChI:
InChI=1S/C2H2BrF2NO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey:
BIWAMAZWCUQBBR-UHFFFAOYSA-N

Cite this record

CBID:11839 http://www.chembase.cn/molecule-11839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-2,2-difluoroacetamide
IUPAC Traditional name
2-bromo-2,2-difluoroacetamide
Synonyms
Bromodifluoroacetamide
CAS Number
2169-67-7
MDL Number
MFCD00193065
PubChem SID
160975146
PubChem CID
2782236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.798267  H Acceptors
H Donor LogD (pH = 5.5) 0.4772851 
LogD (pH = 7.4) 0.69310063  Log P 0.45909974 
Molar Refractivity 23.1194 cm3 Polarizability 8.876413 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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