Methyl 2,6-Difluoro-3-nitrobenzoate - CAS 84832-01-9
Catalog: |
BB037329 |
Product Name: |
Methyl 2,6-Difluoro-3-nitrobenzoate |
CAS: |
84832-01-9 |
Synonyms: |
2,6-difluoro-3-nitrobenzoic acid methyl ester; methyl 2,6-difluoro-3-nitrobenzoate |
IUPAC Name: | methyl 2,6-difluoro-3-nitrobenzoate |
Description: | Methyl 2,6-Difluoro-3-nitrobenzoate (CAS# 84832-01-9) is a useful research chemical compound. |
Molecular Weight: | 217.13 |
Molecular Formula: | C8H5F2NO4 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F |
InChI: | InChI=1S/C8H5F2NO4/c1-15-8(12)6-4(9)2-3-5(7(6)10)11(13)14/h2-3H,1H3 |
InChI Key: | CIHHBTMZOLRCRL-UHFFFAOYSA-N |
Boiling Point: | 318.32 °C at 760 mmHg |
Density: | 1.471 g/cm3 |
LogP: | 2.18280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105334-A1 | Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof | 20191127 |
US-2020407344-A1 | Compounds for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020261156-A1 | Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2019243315-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
EP-3810139-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.01866396 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.01866396 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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