3-Bromobutyric acid - CAS 2623-86-1
Catalog: |
BB019211 |
Product Name: |
3-Bromobutyric acid |
CAS: |
2623-86-1 |
Synonyms: |
3-bromobutanoic acid |
IUPAC Name: | 3-bromobutanoic acid |
Description: | 3-Bromobutyric acid (CAS# 2623-86-1) is a useful research chemical compound. |
Molecular Weight: | 167.00 |
Molecular Formula: | C4H7BrO2 |
Canonical SMILES: | CC(CC(=O)O)Br |
InChI: | InChI=1S/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7) |
InChI Key: | HAIUIAZIUDPZIE-UHFFFAOYSA-N |
Boiling Point: | 230.5 °C at 760 mmHg |
Density: | 1.625 g/cm3 |
MDL: | MFCD00053318 |
LogP: | 1.24450 |
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 |
CN-109942598-A | A kind of preparation method of trans- cefuroxime derivative | 20190417 |
JP-2020164485-A | Photopolymerization sensitizer with migration resistance | 20190329 |
CN-109913650-A | A method of rare earth chloride is converted by sulfuric acid rare earth | 20190129 |
CN-109913650-B | Method for converting rare earth sulfate into rare earth chloride | 20190129 |
WO-2020121384-A1 | Photopolymerization sensitizer having migration resistance | 20181210 |
Complexity: | 72.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.96294 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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