| CAS Number | 94729-09-6 |
| Catalog Number | AG01E602(AGN-PC-0JMK37) |
| Chemical Name | (3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone |
| IUPAC Name | (3-bromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI | InChI=1S/C17H13BrO3/c1-2-14-16(11-5-3-4-6-15(11)21-14)17(20)10-7-8-13(19)12(18)9-10/h3-9,19H,2H2,1H3 |
| InChI Key | QXZXBNDIHSUZDF-UHFFFAOYSA-N |
| MDL Number | MFCD30294505 |
| Molecular Formula | C17H13BrO3 |
| Molecular Weight | 345.1873 |
| SMILES | BrC=1C=C(C=CC1O)C(=O)C1=C(OC2=C1C=CC=C2)CC |
| Synonyms | bromobenzarone,
Bromobenzarone,
94729-09-6,
AC1L2O8H,
SCHEMBL1287583,
QXZXBNDIHSUZDF-UHFFFAOYSA-N,
(3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone,
Methanone, (3-bromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-,
(3-bromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone,
CID125230,
(3-Bromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.192g/mol |
| Monoisotopic Mass | 344.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number