| CAS Number | 1800015-70-6 |
| Catalog Number | AG019EZO(AGN-PC-0WG46F) |
| Chemical Name | cis-5-Bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydrobenzofuran |
| IUPAC Name | (2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran |
| InChI | InChI=1S/C23H21BrO4/c1-25-17-7-4-14(5-8-17)23-22(20-12-16(24)6-9-21(20)28-23)15-10-18(26-2)13-19(11-15)27-3/h4-13,22-23H,1-3H3/t22-,23-/m1/s1 |
| InChI Key | CMZCMAJEZRWTMR-DHIUTWEWSA-N |
| MDL Number | MFCD29059411 |
| Molecular Formula | C23H21BrO4 |
| Molecular Weight | 441.3144 |
| SMILES | COc1ccc(cc1)[C@H]1Oc2c([C@H]1c1cc(OC)cc(c1)OC)cc(cc2)Br |
| Synonyms | 1800015-70-6,
(2,3-CIS)-5-BROMO-3-(3,5-DIMETHOXYPHENYL)-2-(4-METHOXYPHENYL)-2,3-DIHYDROBENZOFURAN,
(2S,3R)-5-bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran,
cis-5-Bromo-3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3-dihydrobenzofuran,
MFCD29059411,
ZINC261506928,
CS-0037612,
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| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.321g/mol |
| Monoisotopic Mass | 440.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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Certificate of Analysis
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