6-Bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one - CAS 1021021-75-9
Catalog: |
BB070703 |
Product Name: |
6-Bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one |
CAS: |
1021021-75-9 |
Synonyms: |
6-bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one; 6-bromo-3-hydroxy-1,3-dihydroindol-2-one |
IUPAC Name: | 6-bromo-3-hydroxy-1,3-dihydroindol-2-one |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6NO2Br |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=O)C2O |
InChI: | InChI=1S/C8H6BrNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3,7,11H,(H,10,12) |
InChI Key: | VXOHMTIZHYANEN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.95819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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