Methyl 4-Bromo-2-fluoro-6-methylbenzoate - CAS 1427409-40-2
Catalog: |
BB059792 |
Product Name: |
Methyl 4-Bromo-2-fluoro-6-methylbenzoate |
CAS: |
1427409-40-2 |
Synonyms: |
METHYL 4-BROMO-2-FLUORO-6-METHYLBENZOATE;METHYL4-BROMO-2-FLUORO-6-METHYLBENZOATE |
IUPAC Name: | methyl 4-bromo-2-fluoro-6-methylbenzoate |
Description: | Methyl 4-Bromo-2-fluoro-6-methylbenzoate is used in the synthesis of isoquinolones and dihydroazaindenone inhibitors of Mnk1 and Mnk2. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | CC1=CC(=CC(=C1C(=O)OC)F)Br |
InChI: | InChI=1S/C9H8BrFO2/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4H,1-2H3 |
InChI Key: | CGSQFHPDASRYOX-UHFFFAOYSA-N |
References: | Sprengeler, P. et al. PCT Int. Appl. (2017), WO 2017075394 A1 20170504.. |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207554-A1 | Compounds and methods for modulating splicing | 20200408 |
US-2021053967-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021030438-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
TW-202115050-A | Compounds for inhibition of alpha 4 beta 7 integrin | 20190814 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
TW-202116754-A | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
CA-3145305-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020247496-A1 | 2,3,5-trisubstituted pyrazolo[1,5-a]pyrimidine compounds | 20190604 |
TW-202110850-A | 2,3,5-trisubstituted pyrazolo[1,5-a]pyrimidine compounds | 20190604 |
CA-3142712-A1 | 2,3,5-trisubstituted pyrazolo[1,5-a]pyrimidine compounds | 20190604 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS