4-Nitrobenzyl bromoacetate - CAS 16869-24-2
Catalog: |
BB012488 |
Product Name: |
4-Nitrobenzyl bromoacetate |
CAS: |
16869-24-2 |
Synonyms: |
(4-nitrophenyl)methyl 2-bromoacetate |
IUPAC Name: | (4-nitrophenyl)methyl 2-bromoacetate |
Description: | 4-Nitrobenzyl bromoacetate (CAS# 16869-24-2) is a useful research chemical. |
Molecular Weight: | 274.07 |
Molecular Formula: | C9H8BrNO4 |
Canonical SMILES: | C1=CC(=CC=C1COC(=O)CBr)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8BrNO4/c10-5-9(12)15-6-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2 |
InChI Key: | ADHFTAKIDKDGBV-UHFFFAOYSA-N |
Boiling Point: | 105-106 °C / 5 mmHg |
Melting Point: | 48-50 °C |
Purity: | 95 % |
Density: | 1.638 g/cm3 |
MDL: | MFCD00051838 |
LogP: | 2.55610 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2015063503-A | Compound having a binding site of radioactive technetium and radioactive technetium complex thereof | 20130830 |
CN-103012471-A | Method for preparing key intermediate of beta-methylcarbapenem antibiotic | 20121217 |
EP-2431362-A1 | 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof | 20090514 |
US-2012059012-A1 | 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof | 20090514 |
US-8883824-B2 | 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof | 20090514 |
PMID | Publication Date | Title | Journal |
21582813 | 20090606 | 4-Nitro-benzyl 2-bromo-acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.96367 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.96367 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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