Methyl 5-Amino-2,4-difluorobenzoate - CAS 125568-73-2
Catalog: |
BB006141 |
Product Name: |
Methyl 5-Amino-2,4-difluorobenzoate |
CAS: |
125568-73-2 |
Synonyms: |
5-amino-2,4-difluorobenzoic acid methyl ester; methyl 5-amino-2,4-difluorobenzoate |
IUPAC Name: | methyl 5-amino-2,4-difluorobenzoate |
Description: | Methyl 5-Amino-2,4-difluorobenzoate (CAS# 125568-73-2) is a useful research chemical. |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1F)F)N |
InChI: | InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3 |
InChI Key: | HHAREYZKVHGBEP-UHFFFAOYSA-N |
Boiling Point: | 284 °C at 760 mmHg |
Density: | 1.355 g/cm3 |
MDL: | MFCD09396710 |
LogP: | 1.91480 |
Publication Number | Title | Priority Date |
CN-111303128-A | Polycyclic compound, preparation method and application thereof | 20200407 |
CN-111303128-B | Polycyclic compound, preparation method and application thereof | 20200407 |
TW-202106720-A | Vinyl alcohol-urethane copolymer | 20190510 |
BE-1026602-A1 | NON-BRAIN A2A INHIBITORS AND METHODS OF USE IN THE TREATMENT OF CANCERS | 20180927 |
US-2020102319-A1 | Non brain penetrant a2a inhibitors and methods for use in the treatment of cancers | 20180927 |
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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