| CAS Number | 1776-09-6 |
| Catalog Number | AG0025F4(AGN-PC-0NIUXO) |
| Chemical Name | 3-Bromochroman-4-one |
| IUPAC Name | 3-bromo-2,3-dihydrochromen-4-one |
| InChI | InChI=1S/C9H7BrO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-4,7H,5H2 |
| InChI Key | FTRRZJIVFMSIJJ-UHFFFAOYSA-N |
| MDL Number | MFCD11109091 |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.0547 |
| SMILES | BrC1C(=O)C2=C(C=CC=C2)OC1 |
| Synonyms | 3-bromochroman-4-one,
1776-09-6,
3-bromo-4-chromanone,
3-bromo-chroman-4-one,
SCHEMBL2381366,
FTRRZJIVFMSIJJ-UHFFFAOYSA-N,
MFCD11109091,
AKOS015969629,
CS-W000656,
MCULE-1825895362,
3-bromo-2,3-dihydro-4h-chromen-4-one,
3-Bromo-2,3-dihydro-4H-1-benzopyran-4-one,
3-bromo-3,4-dihydro-2H-1-benzopyran-4-one,
4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-,
3-bromo-2,3-dihydrochromen-4-one,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.057g/mol |
| Monoisotopic Mass | 225.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number