| CAS Number | 951889-08-0 |
| Catalog Number | AG01EZT4(AGN-PC-0WCDEL) |
| Chemical Name | 2-Bromo-4'-tert-butylbenzophenone |
| IUPAC Name | (2-bromophenyl)-(4-tert-butylphenyl)methanone |
| InChI | InChI=1S/C17H17BrO/c1-17(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)18/h4-11H,1-3H3 |
| InChI Key | CTGNTZJXOMWGQZ-UHFFFAOYSA-N |
| MDL Number | MFCD09801454 |
| Molecular Formula | C17H17BrO |
| Molecular Weight | 317.2203 |
| SMILES | BrC1=CC=CC=C1C(C1C=CC(=CC=1)C(C)(C)C)=O |
| Synonyms | 2-BROMO-4'-TERT-BUTYLBENZOPHENONE,
951889-08-0,
(2-Bromophenyl)(4-(tert-butyl)phenyl)methanone,
SCHEMBL15615007,
CTK5I8670,
2'-Bromo-4-tert-butylbenzophenone,
MFCD09801454,
ZINC37354827,
AKOS005925180,
IMED385494983,
(2-Bromophenyl)(4-tert-butylphenyl)methanone, AldrichCPR,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.226g/mol |
| Monoisotopic Mass | 316.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number