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430-91-1 molecular structure
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2-bromo-2-fluoroacetamide

ChemBase ID: 11845
Molecular Formular: C2H3BrFNO
Molecular Mass: 155.9537232
Monoisotopic Mass: 154.93820394
SMILES and InChIs

SMILES:
C(=O)(C(F)Br)N
Canonical SMILES:
NC(=O)C(Br)F
InChI:
InChI=1S/C2H3BrFNO/c3-1(4)2(5)6/h1H,(H2,5,6)
InChIKey:
VJXYSIXJDWGJNR-UHFFFAOYSA-N

Cite this record

CBID:11845 http://www.chembase.cn/molecule-11845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-2-fluoroacetamide
IUPAC Traditional name
2-bromo-2-fluoroacetamide
Synonyms
Bromofluoroacetamide
Bromofluoroacetamide 98%
CAS Number
430-91-1
MDL Number
MFCD04038267
PubChem SID
160975152
PubChem CID
2782252

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.911104  H Acceptors
H Donor LogD (pH = 5.5) -0.39965013 
LogD (pH = 7.4) -0.40050635  Log P -0.3996392 
Molar Refractivity 22.3398 cm3 Polarizability 8.77317 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
44°C expand Show data source
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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