| CAS Number | 219739-70-5 |
| Catalog Number | AG01BD06(AGN-PC-01NGIV) |
| Chemical Name | 4-bromo-2-methyl-1-benzofuran |
| IUPAC Name | 4-bromo-2-methyl-1-benzofuran |
| InChI | InChI=1S/C9H7BrO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5H,1H3 |
| InChI Key | HDBQHMPOMJRHBK-UHFFFAOYSA-N |
| MDL Number | MFCD22039265 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | CC1OC2=C(C(=CC=C2)Br)C=1 |
| Synonyms | 4-bromo-2-methylbenzofuran,
4-bromo-2-methyl-1-benzofuran,
219739-70-5,
2-Methyl-4-bromobenzofuran,
SCHEMBL5035815,
HDBQHMPOMJRHBK-UHFFFAOYSA-N,
MFCD22039265,
ZINC82373801,
AS-36409,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.058g/mol |
| Monoisotopic Mass | 209.968g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number