| CAS Number | 953717-14-1 |
| Catalog Number | AG019VB4 |
| Chemical Name | 2-[(5-Bromofuran-2-)(methyl)amido]benzoic acid |
| IUPAC Name | 2-[(5-bromofuran-2-carbonyl)-methylamino]benzoic acid |
| InChI | InChI=1S/C13H10BrNO4/c1-15(12(16)10-6-7-11(14)19-10)9-5-3-2-4-8(9)13(17)18/h2-7H,1H3,(H,17,18) |
| InChI Key | RZWDCSZOZGVDNQ-UHFFFAOYSA-N |
| MDL Number | MFCD09729616 |
| Molecular Formula | C13H10BrNO4 |
| Molecular Weight | 324.1268 |
| SMILES | CN(C1=C(C(O)=O)C=CC=C1)C(C1OC(Br)=CC=1)=O |
| Synonyms | 2-(N-methyl5-bromofuran-2-amido)benzoic acid,
953717-14-1,
2-[(5-bromofuran-2-)(methyl)amido]benzoic acid,
AC1Q3VS1,
CTK5I7800,
ZINC13441091,
AKOS000138541,
MCULE-3439608132,
NE27687,
EN300-44286,
Z224209654,
2-[(5-BROMO-2-FUROYL)(METHYL)AMINO]BENZOIC ACID,
2-[(5-bromo-2-furoyl)(methyl)amino]benzoic acid, AldrichCPR,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.13g/mol |
| Monoisotopic Mass | 322.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number