3-Bromo-1-(phenylsulfonyl)-7-azaindole - CAS 880769-95-9
Catalog: |
BB038729 |
Product Name: |
3-Bromo-1-(phenylsulfonyl)-7-azaindole |
CAS: |
880769-95-9 |
Synonyms: |
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine; 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine |
Description: | 3-Bromo-1-(phenylsulfonyl)-7-azaindole (CAS# 880769-95-9) is a useful research chemical. |
Molecular Weight: | 337.19 |
Molecular Formula: | C13H9BrN2O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)Br |
InChI: | InChI=1S/C13H9BrN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H |
InChI Key: | TZTSMNAZKFSLIC-UHFFFAOYSA-N |
Boiling Point: | 511.4 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
MDL: | MFCD09839041 |
LogP: | 4.11660 |
GHS Hazard Statement: | H302 (90.48%): 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 |
EP-3515912-A1 | Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases | 20160926 |
US-2019211011-A1 | Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases | 20160926 |
WO-2018055316-A1 | Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases | 20160926 |
EP-3515912-B1 | Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases | 20160926 |
US-10906900-B2 | Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases | 20160926 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.95681 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.95681 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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Azaindoles
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