Methyl 3-bromopropionate - CAS 3395-91-3
Catalog: |
BB021914 |
Product Name: |
Methyl 3-bromopropionate |
CAS: |
3395-91-3 |
Synonyms: |
methyl 3-bromopropanoate |
IUPAC Name: | methyl 3-bromopropanoate |
Description: | Methyl 3-bromopropionate (CAS# 3395-91-3) is a compound involved in a study of new building blocks or dendritic pseudopeptides for metal chelating. |
Molecular Weight: | 167.00 |
Molecular Formula: | C4H7BrO2 |
Canonical SMILES: | COC(=O)CCBr |
InChI: | InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3 |
InChI Key: | KQEVIFKPZOGBMZ-UHFFFAOYSA-N |
Boiling Point: | 64-66 °C (18 mmHg) |
Purity: | 98 % |
Density: | 1.53 g/cm3 |
MDL: | MFCD00000250 |
LogP: | 0.94440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22463689 | 20120411 | Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides | Journal of the American Chemical Society |
20828158 | 20101014 | Expanding the diversity of allosteric bcr-abl inhibitors | Journal of medicinal chemistry |
21587840 | 20100609 | 2-Oxo-4-trifluoro-meth-yl-2H-chromen-7-yl 2-bromo-2-methyl-propano-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 62.7 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.96294 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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