| CAS Number | 286836-25-7 |
| Catalog Number | AG00IL7A(AGN-PC-0WOD5L) |
| Chemical Name | 7-Bromo-5-benzofurancarboxylic acid |
| IUPAC Name | 7-bromo-1-benzofuran-5-carboxylic acid |
| InChI | InChI=1S/C9H5BrO3/c10-7-4-6(9(11)12)3-5-1-2-13-8(5)7/h1-4H,(H,11,12) |
| InChI Key | VRGGTOQHOVHAEU-UHFFFAOYSA-N |
| MDL Number | MFCD18451086 |
| Molecular Formula | C9H5BrO3 |
| Molecular Weight | 241.0382 |
| SMILES | O=C(C1=CC(Br)=C(OC=C2)C2=C1)O |
| Synonyms | 7-bromo-1-benzofuran-5-carboxylic acid,
286836-25-7,
7-Bromobenzofuran-5-carboxylic acid,
5-carboxy-7-bromobenzofuran,
SCHEMBL5987785,
VRGGTOQHOVHAEU-UHFFFAOYSA-N,
ZINC95221011,
AKOS023567685,
CS-0050104,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.04g/mol |
| Monoisotopic Mass | 239.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number