Home > Compound List > Compound details
359-25-1 molecular structure
click picture or here to close

2-bromo-2-fluoroacetic acid

ChemBase ID: 99297
Molecular Formular: C2H2BrFO2
Molecular Mass: 156.9384832
Monoisotopic Mass: 155.92221952
SMILES and InChIs

SMILES:
BrC(C(=O)O)F
Canonical SMILES:
OC(=O)C(Br)F
InChI:
InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey:
ICTXGKNZADORBH-UHFFFAOYSA-N

Cite this record

CBID:99297 http://www.chembase.cn/molecule-99297.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-2-fluoroacetic acid
IUPAC Traditional name
bromo(fluoro)acetic acid
Synonyms
Fluorobromoacetic acid
Bromofluoroacetic acid 97%
CAS Number
359-25-1
PubChem SID
162085577
PubChem CID
2782420

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6862 external link Add to cart Please log in.
Data Source Data ID
PubChem 2782420 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.6860799  H Acceptors
H Donor LogD (pH = 5.5) -2.9925303 
LogD (pH = 7.4) -3.1929073  Log P 0.39479104 
Molar Refractivity 20.5176 cm3 Polarizability 8.25282 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
51.5-52.5°C expand Show data source
Boiling Point
98-99°C/29mm expand Show data source
Storage Warning
Corrosive 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