| CAS Number | 173381-62-9 |
| Catalog Number | AG01DDRD |
| Chemical Name | 6-Bromo-7-Methylchroman-4-One |
| IUPAC Name | 6-bromo-7-methyl-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C10H9BrO2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h4-5H,2-3H2,1H3 |
| InChI Key | ZQVBOJVMMUTCCT-UHFFFAOYSA-N |
| MDL Number | MFCD11518500 |
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 241.0813 |
| SMILES | O=C1CCOC2=C1C=C(Br)C(C)=C2 |
| Synonyms | 6-Bromo-7-methylchroman-4-one,
173381-62-9,
SCHEMBL16841427,
AKOS030623585,
ZINC238484518,
FCH1404260,
AX8297130,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.084g/mol |
| Monoisotopic Mass | 239.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number