3-Bromo-5-nitroindole - CAS 525593-33-3
Catalog: |
BB027867 |
Product Name: |
3-Bromo-5-nitroindole |
CAS: |
525593-33-3 |
Synonyms: |
3-bromo-5-nitro-1H-indole; 3-bromo-5-nitro-1H-indole |
IUPAC Name: | 3-bromo-5-nitro-1H-indole |
Description: | 3-Bromo-5-nitroindole (CAS# 525593-33-3) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)Br |
InChI: | InChI=1S/C8H5BrN2O2/c9-7-4-10-8-2-1-5(11(12)13)3-6(7)8/h1-4,10H |
InChI Key: | LBTWTOYAMQQAKO-UHFFFAOYSA-N |
Boiling Point: | 417.64 °C at 760 mmHg |
Density: | 1.855 g/cm3 |
LogP: | 3.36180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019102488-A1 | Indole (sulfomyl) n-hydroxy benzamide derivatives as selective hdac inhibitors | 20171127 |
CA-3082972-A1 | Indole (sulfomyl) n-hydroxy benzamide derivatives as selective hdac inhibitors | 20171127 |
CN-111601805-A | Indole (sulfamoyl) N-hydroxybenzamide derivatives as selective HDAC inhibitors | 20171127 |
EP-3717481-A1 | Indole (sulfomyl) n-hydroxy benzamide derivatives as selective hdac inhibitors | 20171127 |
US-2020385349-A1 | Indole (sulfomyl) n-hydroxy benzamide derivatives as selective hdac inhibitors | 20171127 |
Complexity: | 219 |
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: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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