| CAS Number | 27798-44-3 |
| Catalog Number | AG002URW(AGN-PC-04Q1Y6) |
| Chemical Name | Ethanone, 2-(3-bromophenyl)-1-phenyl- |
| IUPAC Name | 2-(3-bromophenyl)-1-phenylethanone |
| InChI | InChI=1S/C14H11BrO/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h1-9H,10H2 |
| InChI Key | RUTOZYXOYXWKPS-UHFFFAOYSA-N |
| MDL Number | MFCD02260687 |
| Molecular Formula | C14H11BrO |
| Molecular Weight | 275.1405 |
| SMILES | C1=C(Br)C=C(CC(=O)C2C=CC=CC=2)C=C1 |
| Synonyms | 2-(3-Bromophenyl)Acetophenone,
27798-44-3,
Ethanone, 2-(3-bromophenyl)-1-phenyl-,
2-(3-Bromophenyl)-1-phenylethan-1-one,
3'-Bromodeoxybenzoin,
AC1Q24KJ,
SCHEMBL570729,
CTK0J2397,
DTXSID60642288,
ZINC2392963,
MFCD02260687,
AKOS010014104,
ACM27798443,
TX-011880,
2-(3-BROMOPHENYL)-1-PHENYLETHANONE,
CS-0060488,
2-(3-Bromophenyl)-1-phenylethanone, AldrichCPR,
3-bromo-2-phenylacetophenone,
40396-53-0,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.145g/mol |
| Monoisotopic Mass | 273.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number