6-Bromo-3-methoxy-2-nitrobenzoic Acid - CAS 127971-97-5
Catalog: |
BB006847 |
Product Name: |
6-Bromo-3-methoxy-2-nitrobenzoic Acid |
CAS: |
127971-97-5 |
Synonyms: |
6-bromo-3-methoxy-2-nitrobenzoic acid; 6-bromo-3-methoxy-2-nitrobenzoic acid |
IUPAC Name: | 6-bromo-3-methoxy-2-nitrobenzoic acid |
Description: | 6-Bromo-3-methoxy-2-nitrobenzoic Acid (CAS# 127971-97-5 ) is a useful research chemical. |
Molecular Weight: | 276.04 |
Molecular Formula: | C8H6BrNO5 |
Canonical SMILES: | COC1=C(C(=C(C=C1)Br)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6BrNO5/c1-15-5-3-2-4(9)6(8(11)12)7(5)10(13)14/h2-3H,1H3,(H,11,12) |
InChI Key: | GDQNQIOGEJXLHT-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.58730 |
Publication Number | Title | Priority Date |
WO-2021195781-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use | 20200401 |
WO-2021195782-A1 | Methods of using myt1 inhibitors | 20200401 |
CA-3033370-A1 | Certain chemical entities, compositions, and methods | 20160815 |
EP-3497087-A1 | Certain chemical entities, compositions, and methods | 20160815 |
JP-2019526550-A | Specific chemical entities, compositions and methods | 20160815 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.94293 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.94293 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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