| CAS Number | 1803606-88-3 |
| Catalog Number | AG01BD8X |
| Chemical Name | 6-Bromo-8-fluoro-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 6-bromo-8-fluoro-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H5BrFNO/c10-6-3-5-1-2-12-9(13)8(5)7(11)4-6/h1-4H,(H,12,13) |
| InChI Key | KMHGAFPTESOYIQ-UHFFFAOYSA-N |
| MDL Number | MFCD28246218 |
| Molecular Formula | C9H5BrFNO |
| Molecular Weight | 242.0445 |
| SMILES | O=C1NC=CC2=C1C(F)=CC(Br)=C2 |
| Synonyms | 6-bromo-8-fluoro-1,2-dihydroisoquinolin-1-one,
1803606-88-3,
SCHEMBL8348282,
AKOS033727713,
ZINC170608106,
Z2004548267,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.047g/mol |
| Monoisotopic Mass | 240.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number