| CAS Number | 83344-22-3 |
| Catalog Number | AG003980(AGN-PC-00PKEN) |
| Chemical Name | 3-ACetyl-5-bromo-8-hydroxy-3,4-dihydro-2H-1-naphthalenone |
| IUPAC Name | 3-acetyl-5-bromo-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI | InChI=1S/C12H11BrO3/c1-6(14)7-4-8-9(13)2-3-10(15)12(8)11(16)5-7/h2-3,7,15H,4-5H2,1H3 |
| InChI Key | IUJXLOWSXNDTKO-UHFFFAOYSA-N |
| MDL Number | MFCD11501103 |
| Molecular Formula | C12H11BrO3 |
| Molecular Weight | 283.1179 |
| SMILES | C(C)(=O)C1CC(C2=C(C=CC(=C2C1)Br)O)=O |
| Synonyms | 83344-22-3,
3-Acetyl-5-bromo-8-hydroxy-3,4-dihydro-2H-1-naphthalenone,
3-Acetyl-5-bromo-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one,
3-Acetyl-5-bromo-8-hydroxy-3,4-dihydronaphthalen-1(2H)-one,
DTXSID10573715,
MFCD11501103,
CS-0060074,
1(2H)-Naphthalenone, 3-acetyl-5-bromo-3,4-dihydro-8-hydroxy-,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.121g/mol |
| Monoisotopic Mass | 281.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P261-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number