| CAS Number | 893743-94-7 |
| Catalog Number | AG019V55 |
| Chemical Name | 5-(3-Bromophenoxymethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-[(3-bromophenoxy)methyl]furan-2-carboxylic acid |
| InChI | InChI=1S/C12H9BrO4/c13-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)12(14)15/h1-6H,7H2,(H,14,15) |
| InChI Key | VFNLEKRTYGTCFC-UHFFFAOYSA-N |
| MDL Number | MFCD06803154 |
| Molecular Formula | C12H9BrO4 |
| Molecular Weight | 297.1015 |
| SMILES | OC(C1OC(COC2=CC(Br)=CC=C2)=CC=1)=O |
| Synonyms | 5-(3-bromophenoxymethyl)furan-2-carboxylic acid,
893743-94-7,
5-[(3-bromophenoxy)methyl]furan-2-carboxylic Acid,
AC1NFGDA,
AC1Q73A6,
CTK5I8572,
ZINC8377858,
AKOS000142334,
MCULE-7144558155,
NE25488,
EN300-43781,
Z449369070,
CID4683145,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.104g/mol |
| Monoisotopic Mass | 295.968g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number