Methyl 3-(2,6-Difluorophenyl)-3-oxopropionate - CAS 106816-08-4
Catalog: |
BB001926 |
Product Name: |
Methyl 3-(2,6-Difluorophenyl)-3-oxopropionate |
CAS: |
106816-08-4 |
Synonyms: |
3-(2,6-difluorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2,6-difluorophenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(2,6-difluorophenyl)-3-oxopropanoate |
Description: | Methyl 3-(2,6-Difluorophenyl)-3-oxopropionate (CAS# 106816-08-4 ) is a useful research chemical. |
Molecular Weight: | 214.17 |
Molecular Formula: | C10H8F2O3 |
Canonical SMILES: | COC(=O)CC(=O)C1=C(C=CC=C1F)F |
InChI: | InChI=1S/C10H8F2O3/c1-15-9(14)5-8(13)10-6(11)3-2-4-7(10)12/h2-4H,5H2,1H3 |
InChI Key: | BIFNAGMKPWDGAL-UHFFFAOYSA-N |
Boiling Point: | 248 °C at 760 mmHg |
Density: | 1.291 g/cm3 |
LogP: | 1.71060 |
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 |
Publication Number | Title | Priority Date |
US-2004082639-A1 | N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders | 20020515 |
US-7196110-B2 | N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders | 20020515 |
EP-0197226-A1 | Chemical hybridization agents comprising derivatives of cinnoline-3-carboxylic acids, and their application | 19850403 |
CA-1250292-A | Pollen suppressant comprising a fused pyridazine | 19830914 |
US-4729782-A | Pollen suppressant comprising a fused pyridazinone | 19830914 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.04415044 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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