1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene - CAS 330794-02-0
Catalog: |
BB021551 |
Product Name: |
1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene |
CAS: |
330794-02-0 |
Synonyms: |
1-bromo-2-fluoro-5-methoxy-4-nitrobenzene; 1-bromo-2-fluoro-5-methoxy-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-fluoro-5-methoxy-4-nitrobenzene |
Description: | 1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene (CAS# 330794-02-0) is a useful reagent in the preparation of 2-Anilino-7-Aryl-Pyrrolo[2,1-f][1,2,4]triazines as orally Bioavailable, Efficacious ALK Inhibitors. |
Molecular Weight: | 250.02 |
Molecular Formula: | C7H5BrFNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1[N+](=O)[O-])F)Br |
InChI: | InChI=1S/C7H5BrFNO3/c1-13-7-2-4(8)5(9)3-6(7)10(11)12/h2-3H,1H3 |
InChI Key: | DBEXWIUEKLTMPE-UHFFFAOYSA-N |
LogP: | 3.02820 |
Publication Number | Title | Priority Date |
WO-2018127184-A1 | Anaplastic lymphoma kinase inhibitor and preparation method and use thereof | 20170106 |
EP-3347361-A1 | Tricyclic pi3k inhibitor compounds and methods of use | 20150908 |
JP-2018526393-A | Tricyclic PI3K inhibitor compounds and methods of use | 20150908 |
US-10065970-B2 | Tricyclic PI3K inhibitor compounds and methods of use | 20150908 |
US-10435414-B2 | Tricyclic PI3K inhibitor compounds and methods of use | 20150908 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.94368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.94368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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