7-Bromoindole-3-carboxylic Acid - CAS 86153-25-5
Catalog: |
BB037839 |
Product Name: |
7-Bromoindole-3-carboxylic Acid |
CAS: |
86153-25-5 |
Synonyms: |
7-bromo-1H-indole-3-carboxylic acid; 7-bromo-1H-indole-3-carboxylic acid |
IUPAC Name: | 7-bromo-1H-indole-3-carboxylic acid |
Description: | 7-Bromoindole-3-carboxylic Acid (CAS# 86153-25-5) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC=C2C(=O)O |
InChI: | InChI=1S/C9H6BrNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13) |
InChI Key: | RMWZYIREGHRJOQ-UHFFFAOYSA-N |
Boiling Point: | 470.9 ℃ at 760 mmHg |
Density: | 1.838 g/cm3 |
LogP: | 2.62860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
TW-202038943-A | Methods of treating cancer | 20181119 |
EP-3883605-A1 | Methods of treating cancer | 20181119 |
AU-2018368745-A1 | Indole Compounds and Their Use | 20171120 |
TW-201925194-A | Bismuth compound and its use | 20171120 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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