| CAS Number | 681469-97-6 |
| Catalog Number | AG005MIM(AGN-PC-0WCDEP) |
| Chemical Name | (3-Bromo-phenyl)-(3,4-dimethoxy-phenyl)-methanone |
| IUPAC Name | (3-bromophenyl)-(3,4-dimethoxyphenyl)methanone |
| InChI | InChI=1S/C15H13BrO3/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9H,1-2H3 |
| InChI Key | GXJWCGOCTKMLQU-UHFFFAOYSA-N |
| MDL Number | MFCD02127297 |
| Molecular Formula | C15H13BrO3 |
| Molecular Weight | 321.1659 |
| SMILES | C(=O)(C1=CC=CC(Br)=C1)C1=CC=C(OC)C(OC)=C1 |
| Synonyms | 3-Bromo-3',4'-dimethoxybenzophenone,
681469-97-6,
(3-Bromophenyl)(3,4-dimethoxyphenyl)methanone,
AC1MBPKQ,
CTK5C7406,
DTXSID70373036,
ZINC3850627,
AKOS004909499,
SEL13774952,
(3-bromophenyl)-(3,4-dimethoxyphenyl)methanone,
ZINC03850627,
CID2754577,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.17g/mol |
| Monoisotopic Mass | 320.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^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