| CAS Number | 20772-12-7 |
| Catalog Number | AG002J7R(AGN-PC-009QV6) |
| Chemical Name | 1-bromo-3-phenylpropan-2-one |
| IUPAC Name | 1-bromo-3-phenylpropan-2-one |
| InChI | InChI=1S/C9H9BrO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | CIFGSVFCDAILNK-UHFFFAOYSA-N |
| MDL Number | MFCD11847200 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrCC(CC1=CC=CC=C1)=O |
| Synonyms | 20772-12-7,
1-bromo-3-phenyl-2-propanone,
1-BROMO-3-PHENYLPROPAN-2-ONE,
2-Propanone, 1-bromo-3-phenyl-,
MFCD11847200,
1-bromo-3-phenyl-propan-2-one,
1-bromo-3-phenylacetone,
SCHEMBL1892394,
CTK0J8439,
DTXSID10466890,
CIFGSVFCDAILNK-UHFFFAOYSA-N,
1-bromanyl-3-phenyl-propan-2-one,
ZINC62498332,
AKOS017562101,
A814868,
CID11469927,
1-bromo-3-phenylpropan-2-one, 95% - 1G 1g,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number