Methyl 2-Amino-5-bromo-3-methoxybenzoate - CAS 115378-21-7
Catalog: |
BB003553 |
Product Name: |
Methyl 2-Amino-5-bromo-3-methoxybenzoate |
CAS: |
115378-21-7 |
Synonyms: |
2-amino-5-bromo-3-methoxybenzoic acid methyl ester; methyl 2-amino-5-bromo-3-methoxybenzoate |
IUPAC Name: | methyl 2-amino-5-bromo-3-methoxybenzoate |
Description: | Methyl 2-Amino-5-bromo-3-methoxybenzoate (CAS# 115378-21-7 ) is a useful research chemical. |
Molecular Weight: | 260.08 |
Molecular Formula: | C9H10BrNO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)Br)C(=O)OC)N |
InChI: | InChI=1S/C9H10BrNO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,11H2,1-2H3 |
InChI Key: | RVTIPPUCNSLRLU-UHFFFAOYSA-N |
LogP: | 2.40770 |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
EP-3630749-A1 | 2-quinolone derived inhibitors of bcl6 | 20170526 |
WO-2018215798-A1 | 2-quinolone derived inhibitors of bcl6 | 20170526 |
US-2021206756-A1 | 2-quinolone derived inhibitors of bcl6 | 20170526 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.98441 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Related Functional Groups
Amines and Anilines
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