| CAS Number | 57547-15-6 |
| Catalog Number | AG00IA93(AGN-PC-0NIADU) |
| Chemical Name | 7-Bromo-2-methyl-1-benzofuran |
| IUPAC Name | 7-bromo-2-methyl-1-benzofuran |
| InChI | InChI=1S/C9H7BrO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h2-5H,1H3 |
| InChI Key | RLVGRFODLCTVTN-UHFFFAOYSA-N |
| MDL Number | MFCD18451224 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrC1=CC=CC=2C=C(OC21)C |
| Synonyms | 7-bromo-2-methylbenzofuran,
57547-15-6,
7-bromo-2-methyl-1-benzofuran,
Benzofuran, 7-bromo-2-methyl-,
2-methyl-7-bromobenzofuran,
7-bromo-2-methyl-benzofuran,
SCHEMBL1800952,
CHEMBL3273876,
RLVGRFODLCTVTN-UHFFFAOYSA-N,
MFCD18451224,
ZINC39193681,
AKOS022691247,
AS-40481,
SY045664,
MFCD18451224 (95%),
Z2235330361,
|
| 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