| CAS Number | 58863-48-2 |
| Catalog Number | AG00EOUN(AGN-PC-00AN6V) |
| Chemical Name | BENZOFURAN, 3-BROMO-2-METHYL- |
| IUPAC Name | 3-bromo-2-methyl-1-benzofuran |
| InChI | InChI=1S/C9H7BrO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3 |
| InChI Key | OEGMISNFEAVBHA-UHFFFAOYSA-N |
| MDL Number | MFCD11111717 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrC1=C(OC2=C1C=CC=C2)C |
| Synonyms | 3-bromo-2-methylbenzofuran,
58863-48-2,
3-bromo-2-mehtylbenzofuran,
Benzofuran, 3-bromo-2-methyl-,
2-Methyl-3-bromobenzofuran,
methyl 3-bromo-1-benzofuran,
SCHEMBL3380593,
3-bromo-2-methyl-1-benzofuran,
CTK1E8705,
DTXSID30467849,
OEGMISNFEAVBHA-UHFFFAOYSA-N,
MFCD11111717,
AKOS022691250,
AS-36540,
CS-0061201,
3-bromo-2-methyl-benzofuran,
BENZOFURAN,3-BROMO-2-METHYL-,
CID11514006,
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| 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
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Certificate of Analysis
Lot Number