Ethyl (2-bromo-5-fluorobenzoyl)acetate - CAS 1020058-49-4
Catalog: |
BB000742 |
Product Name: |
Ethyl (2-bromo-5-fluorobenzoyl)acetate |
CAS: |
1020058-49-4 |
Synonyms: |
ethyl 3-(2-bromo-5-fluorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(2-bromo-5-fluorophenyl)-3-oxopropanoate |
Description: | Ethyl (2-bromo-5-fluorobenzoyl)acetate (CAS# 1020058-49-4 ) is a useful research chemical. |
Molecular Weight: | 289.10 |
Molecular Formula: | C11H10BrFO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=C(C=CC(=C1)F)Br |
InChI: | InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)8-5-7(13)3-4-9(8)12/h3-5H,2,6H2,1H3 |
InChI Key: | CLHWFHWYVGINKD-UHFFFAOYSA-N |
MDL: | MFCD09991887 |
LogP: | 2.72410 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.97973 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.97973 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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