4-Bromooxindole - CAS 99365-48-7
Catalog: |
BB042283 |
Product Name: |
4-Bromooxindole |
CAS: |
99365-48-7 |
Synonyms: |
4-bromo-1,3-dihydroindol-2-one; 4-bromo-1,3-dihydroindol-2-one |
IUPAC Name: | 4-bromo-1,3-dihydroindol-2-one |
Description: | 4-Bromooxindole (CAS# 99365-48-7) is a reactant that has been used in the preparation of benzylidene bromo isatin derivatives with antitumor activity. |
Molecular Weight: | 212.04 |
Molecular Formula: | C8H6BrNO |
Canonical SMILES: | C1C2=C(C=CC=C2Br)NC1=O |
InChI: | InChI=1S/C8H6BrNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChI Key: | XQQPPAZTHUEMPF-UHFFFAOYSA-N |
Boiling Point: | 358.2 °C at 760 mmHg |
Density: | 1.666 g/cm3 |
MDL: | MFCD06659911 |
LogP: | 2.08170 |
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 |
US-2020031801-A1 | Therapeutic heterocyclic compounds | 20180706 |
WO-2020010200-A1 | Therapeutic heterocyclic compounds | 20180706 |
AU-2019297362-A1 | Therapeutic heterocyclic compounds | 20180706 |
KR-20210029225-A | Therapeutic heterocyclic compounds | 20180706 |
EP-3818052-A1 | Therapeutic heterocyclic compounds | 20180706 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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