5-Bromo-1H-indazole-7-carboxylic Acid - CAS 953409-99-9
Catalog: |
BB041691 |
Product Name: |
5-Bromo-1H-indazole-7-carboxylic Acid |
CAS: |
953409-99-9 |
Synonyms: |
5-bromo-1H-indazole-7-carboxylic acid; 5-bromo-1H-indazole-7-carboxylic acid |
IUPAC Name: | 5-bromo-1H-indazole-7-carboxylic acid |
Description: | 5-Bromo-1H-indazole-7-carboxylic Acid (CAS# 953409-99-9) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=C(C=C2C=NNC2=C1C(=O)O)Br |
InChI: | InChI=1S/C8H5BrN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | HBCUQNYHXNSYGH-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD13177019 |
LogP: | 2.02360 |
Publication Number | Title | Priority Date |
AU-2018227849-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
CN-110603252-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
EP-3589628-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
JP-2020514331-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
KR-20190126831-A | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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