| CAS Number | 188862-35-3 |
| Catalog Number | AG002HFI(AGN-PC-03KSZY) |
| Chemical Name | 5-(Bromomethyl)benzofuran |
| IUPAC Name | 5-(bromomethyl)-1-benzofuran |
| InChI | InChI=1S/C9H7BrO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6H2 |
| InChI Key | JRDOVDQMUHMTLN-UHFFFAOYSA-N |
| MDL Number | MFCD18410583 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrCC1=CC=C(OC=C2)C2=C1 |
| Synonyms | 5-(Bromomethyl)benzofuran,
188862-35-3,
Benzofuran, 5-(bromomethyl)-,
5-bromomethyl-benzofuran,
5-bromomethyl-benzo[b]furan,
5-(Bromomethyl)-1-benzofuran,
SCHEMBL1602884,
CTK0E1888,
DTXSID10622651,
JRDOVDQMUHMTLN-UHFFFAOYSA-N,
6275AJ,
ZINC90627552,
AKOS025244024,
TRA0019744,
SY029071,
FT-0733468,
Z-3805,
MFCD18410583 (95+%),
C9H7BrO,
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| Complexity | 138 |
| 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 | 1 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number