Methyl 3-Amino-2,6-difluorobenzoate - CAS 84832-02-0
Catalog: |
BB037330 |
Product Name: |
Methyl 3-Amino-2,6-difluorobenzoate |
CAS: |
84832-02-0 |
Synonyms: |
3-amino-2,6-difluorobenzoic acid methyl ester; methyl 3-amino-2,6-difluorobenzoate |
IUPAC Name: | methyl 3-amino-2,6-difluorobenzoate |
Description: | Methyl 3-Amino-2,6-difluorobenzoate (CAS# 84832-02-0) is a useful research chemical. |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1F)N)F |
InChI: | InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3 |
InChI Key: | IUXHGFLADBGDTR-UHFFFAOYSA-N |
Boiling Point: | 295.714 °C at 760 mmHg |
Density: | 1.356 g/cm3 |
LogP: | 1.91480 |
Publication Number | Title | Priority Date |
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 |
US-2021261545-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 20180621 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Amines and Anilines
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