2-Bromo-2-fluoroacetic Acid - CAS 359-25-1
Catalog: |
BB022804 |
Product Name: |
2-Bromo-2-fluoroacetic Acid |
CAS: |
359-25-1 |
Synonyms: |
2-bromo-2-fluoroacetic acid; 2-bromo-2-fluoroacetic acid |
IUPAC Name: | 2-bromo-2-fluoroacetic acid |
Description: | 2-Bromo-2-fluoroacetic Acid (CAS# 359-25-1) is a useful research chemical. |
Molecular Weight: | 156.94 |
Molecular Formula: | C2H2BrFO2 |
Canonical SMILES: | C(C(=O)O)(F)Br |
InChI: | InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6) |
InChI Key: | ICTXGKNZADORBH-UHFFFAOYSA-N |
Boiling Point: | 183 °C at 760 mmHg |
Density: | 2.087 g/cm3 |
LogP: | 0.76150 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
AU-2017325863-A1 | Beta-lactamase inhibitor compounds | 20160916 |
CA-3036557-A1 | Beta-lactamase inhibitor compounds | 20160916 |
CN-109715630-A | Beta-lactamase inhibitor compound | 20160916 |
EP-3512851-A1 | Beta-lactamase inhibitor compounds | 20160916 |
PMID | Publication Date | Title | Journal |
21346867 | 20100706 | Development of a less toxic dichloroacetate analogue by docking and descriptor analysis | Bioinformation |
21579169 | 20100421 | (R)-1-Phenyl-ethyl-ammonium trifluoro-acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 64.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.92222 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.92222 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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