3-Bromoindole-5-carboxylic Acid - CAS 916179-87-8
Catalog: |
BB040279 |
Product Name: |
3-Bromoindole-5-carboxylic Acid |
CAS: |
916179-87-8 |
Synonyms: |
3-bromo-1H-indole-5-carboxylic acid; 3-bromo-1H-indole-5-carboxylic acid |
IUPAC Name: | 3-bromo-1H-indole-5-carboxylic acid |
Description: | 3-Bromoindole-5-carboxylic Acid (CAS# 916179-87-8) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)C(=CN2)Br |
InChI: | InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13) |
InChI Key: | VCNFRMMIMOPFGP-UHFFFAOYSA-N |
LogP: | 2.62860 |
Publication Number | Title | Priority Date |
CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 20180919 |
AU-2015374118-A1 | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 20141229 |
CA-2978823-A1 | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 20141229 |
CN-107624112-A | The micromolecular inhibitor and its application method of lactic dehydrogenase | 20141229 |
EP-3240785-A2 | Small molecule inhibitors of lactate dehydrogenase and methods of use thereof | 20141229 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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