| CAS Number | 27428-65-5 |
| Catalog Number | AG00C38D(AGN-PC-04Q139) |
| Chemical Name | (4-Bromophenyl)(2-methoxyphenyl)methanone |
| IUPAC Name | (4-bromophenyl)-(2-methoxyphenyl)methanone |
| InChI | InChI=1S/C14H11BrO2/c1-17-13-5-3-2-4-12(13)14(16)10-6-8-11(15)9-7-10/h2-9H,1H3 |
| InChI Key | JODQDJQTOLNYPX-UHFFFAOYSA-N |
| MDL Number | MFCD01311531 |
| Molecular Formula | C14H11BrO2 |
| Molecular Weight | 291.1399 |
| SMILES | C(=O)(C1=CC=C(C=C1)Br)C1=CC=CC=C1OC |
| Synonyms | 4-BROMO-2'-METHOXYBENZOPHENONE,
27428-65-5,
CTK4F9667,
DTXSID80641455,
ZINC2574615,
MFCD01311531,
AKOS009339933,
ACM27428655,
(4-Bromophenyl)(2-methoxyphenyl)methanone,
BC4182296,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.144g/mol |
| Monoisotopic Mass | 289.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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