| CAS Number | 844879-47-6 |
| Catalog Number | AG004VSL(AGN-PC-0WCDER) |
| Chemical Name | 3-Bromo-3',5'-dimethyl-4'-methoxybenzophenone |
| IUPAC Name | (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone |
| InChI | InChI=1S/C16H15BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9H,1-3H3 |
| InChI Key | KWFIRZWGVDVOOF-UHFFFAOYSA-N |
| MDL Number | MFCD06201470 |
| Molecular Formula | C16H15BrO2 |
| Molecular Weight | 319.1931 |
| SMILES | C1(=CC(C)=C(C(C)=C1)OC)C(=O)C1C=CC=C(Br)C=1 |
| Synonyms | 3-Bromo-3',5'-dimethyl-4'-methoxybenzophenone,
844879-47-6,
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone,
AC1MBUQN,
CTK5F2439,
DTXSID40373649,
ZINC4241675,
AKOS016018459,
IMED1566398479,
RT-019573,
(3-bromophenyl)(4-methoxy-3,5-dimethylphenyl)methanone,
Not Available,
ZINC04241675,
CID2756950,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.198g/mol |
| Monoisotopic Mass | 318.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number