| CAS Number | 27407-12-1 |
| Catalog Number | AG01DU53 |
| Chemical Name | 7-Bromo-6-fluorochroman-4-one |
| IUPAC Name | 7-bromo-6-fluoro-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H6BrFO2/c10-6-4-9-5(3-7(6)11)8(12)1-2-13-9/h3-4H,1-2H2 |
| InChI Key | GJIKUJVFHWCVKW-UHFFFAOYSA-N |
| MDL Number | MFCD18648382 |
| Molecular Formula | C9H6BrFO2 |
| Molecular Weight | 245.0451 |
| SMILES | O=C1CCOC2=C1C=C(C(Br)=C2)F |
| Synonyms | 7-BROMO-6-FLUOROCHROMAN-4-ONE,
27407-12-1,
SCHEMBL20449110,
AKOS017550259,
CS-0043282,
7-Bromo-6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.047g/mol |
| Monoisotopic Mass | 243.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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Signal Words
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warning
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UN Code
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\N
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Certificate of Analysis
Lot Number