| CAS Number | 93670-10-1 |
| Catalog Number | AG01A2Z6(AGN-PC-02P2FR) |
| Chemical Name | 5-Bromo-2,3-dihydrobenzofuran-3-carboxylic acid |
| IUPAC Name | 5-bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H7BrO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-3,7H,4H2,(H,11,12) |
| InChI Key | YWYNFOBRXXTNHA-UHFFFAOYSA-N |
| MDL Number | MFCD10696207 |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.0541 |
| SMILES | OC(C1C2=C(C=CC(=C2)Br)OC1)=O |
| Synonyms | 93670-10-1,
5-bromo-2,3-dihydro-1-benzofuran-3-carboxylic acid,
5-BROMO-2,3-DIHYDROBENZOFURAN-3-CARBOXYLIC ACID,
SCHEMBL10898074,
AKOS017555499,
AB56754,
ACN-025243,
MCULE-8961611452,
NE19064,
3-Benzofurancarboxylic acid, 5-bromo-2,3-dihydro-,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.056g/mol |
| Monoisotopic Mass | 241.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number