7-Bromoindole-2-carboxylic acid - CAS 16732-71-1
Catalog: |
BB012385 |
Product Name: |
7-Bromoindole-2-carboxylic acid |
CAS: |
16732-71-1 |
Synonyms: |
7-bromo-1H-indole-2-carboxylic acid |
IUPAC Name: | 7-bromo-1H-indole-2-carboxylic acid |
Description: | 7-Bromoindole-2-carboxylic acid (CAS# 16732-71-1) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O |
InChI: | InChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13) |
InChI Key: | ZKGMXVLKFBRKNN-UHFFFAOYSA-N |
Boiling Point: | 470.9 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.838 g/cm3 |
MDL: | MFCD00744954 |
LogP: | 2.62860 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109988151-B | Acetylene compound, preparation method and application thereof | 20171229 |
CN-106967213-A | A kind of eight arms polyethylene glycol, preparation method, functional derivative and the bio-related substance of modification | 20160421 |
CN-106967213-B | A kind of eight arms polyethylene glycol, preparation method, functional derivative and the bio-related substance of modification | 20160421 |
CN-110643032-A | Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance | 20160421 |
CN-104877127-A | Eight-armed polyethylene glycol derivative, preparation method and related biological substance modified by derivative | 20150623 |
PMID | Publication Date | Title | Journal |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
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: | 3 |
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