| CAS Number | 1094749-23-1 |
| Catalog Number | AG00HBIF(AGN-PC-0WG46C) |
| Chemical Name | (5-Bromo-2-methoxyphenyl)(3,5-dimethoxyphenyl)methanone |
| IUPAC Name | (5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanone |
| InChI | InChI=1S/C16H15BrO4/c1-19-12-6-10(7-13(9-12)20-2)16(18)14-8-11(17)4-5-15(14)21-3/h4-9H,1-3H3 |
| InChI Key | YXROEBCJFPMOBN-UHFFFAOYSA-N |
| MDL Number | MFCD13468856 |
| Molecular Formula | C16H15BrO4 |
| Molecular Weight | 351.1919 |
| SMILES | COc1cc(OC)cc(c1)C(=O)c1cc(Br)ccc1OC |
| Synonyms | (5-Bromo-2-methoxyphenyl)(3,5-dimethoxyphenyl)methanone,
1094749-23-1,
MFCD13468856,
ZINC36944756,
AKOS009346592,
CS-0037611,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.196g/mol |
| Monoisotopic Mass | 350.015g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number