| CAS Number | 944805-66-7 |
| Catalog Number | AG00II7O(AGN-PC-0WG3FL) |
| Chemical Name | 5‐bromo‐6‐fluoro‐2,3‐dihydro‐1H‐indol‐2‐one |
| IUPAC Name | 5-bromo-6-fluoro-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C8H5BrFNO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2H2,(H,11,12) |
| InChI Key | UVQWHJXRXKNXGK-UHFFFAOYSA-N |
| MDL Number | MFCD26086914 |
| Molecular Formula | C8H5BrFNO |
| Molecular Weight | 230.0338 |
| SMILES | FC1=C(Br)C=C2C(NC(C2)=O)=C1 |
| Synonyms | 944805-66-7,
5-bromo-6-fluoro-2,3-dihydro-1H-indol-2-one,
5-bromo-6-fluoroindolin-2-one,
5-bromo-6-fluoro-1,3-dihydro-2H-indol-2-one,
5?bromo?6?fluoro?2,3?dihydro?1H?indol?2?one,
SCHEMBL4297332,
UVQWHJXRXKNXGK-UHFFFAOYSA-N,
ZINC97455207,
AKOS030628631,
AS-53137,
CS-0050576,
2H-Indol-2-one, 5-bromo-6-fluoro-1,3-dihydro-,
AS-813/43501792,
Z2004547608,
5bromo6fluoro2,3dihydro1Hindol2one,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.95385g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.03g/mol |
| Monoisotopic Mass | 228.95385g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number