5,7-Dibromoindole-3-carboxaldehyde - CAS 126811-14-1
Catalog: |
BB006669 |
Product Name: |
5,7-Dibromoindole-3-carboxaldehyde |
CAS: |
126811-14-1 |
Synonyms: |
5,7-dibromo-1H-indole-3-carbaldehyde |
IUPAC Name: | 5,7-dibromo-1H-indole-3-carbaldehyde |
Description: | 5,7-Dibromoindole-3-carboxaldehyde (CAS# 126811-14-1 ) is a useful research chemical. |
Molecular Weight: | 302.95 |
Molecular Formula: | C9H5Br2NO |
Canonical SMILES: | C1=C(C=C2C(=CNC2=C1Br)C=O)Br |
InChI: | InChI=1S/C9H5Br2NO/c10-6-1-7-5(4-13)3-12-9(7)8(11)2-6/h1-4,12H |
InChI Key: | JNRVKWFIKFDURF-UHFFFAOYSA-N |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3328379-A1 | Bis-heteroaryl derivatives as modulators of protein aggregation | 20150729 |
US-2018222899-A1 | Bis-heteroaryl derivatives as modulators of protein aggregation | 20150729 |
WO-2017020010-A1 | Bis-heteroaryl derivatives as modulators of protein aggregation | 20150729 |
US-10975066-B2 | Bis-heteroaryl derivatives as modulators of protein aggregation | 20150729 |
EP-3328379-B1 | Bis-heteroaryl derivatives as modulators of protein aggregation | 20150729 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.87174 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.87379 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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