| CAS Number | 2102411-41-4 |
| Catalog Number | AG01DFNP |
| Chemical Name | (4-bromo-3-methylphenyl)(4-methoxy-3-nitrophenyl)methanone |
| IUPAC Name | (4-bromo-3-methylphenyl)-(4-methoxy-3-nitrophenyl)methanone |
| InChI | InChI=1S/C15H12BrNO4/c1-9-7-10(3-5-12(9)16)15(18)11-4-6-14(21-2)13(8-11)17(19)20/h3-8H,1-2H3 |
| InChI Key | APJBUPHUJLURMZ-UHFFFAOYSA-N |
| MDL Number | MFCD31555289 |
| Molecular Formula | C15H12BrNO4 |
| Molecular Weight | 350.1641 |
| SMILES | COc1ccc(cc1[N+]([O-])=O)C(=O)c1ccc(Br)c(C)c1 |
| Synonyms | (4-bromo-3-methylphenyl)(4-methoxy-3-nitrophenyl)methanone,
2102411-41-4,
ZINC642881886,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.168g/mol |
| Monoisotopic Mass | 348.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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