| CAS Number | 692290-41-8 |
| Catalog Number | AG019V5D |
| Chemical Name | 2-[4-(5-bromofuran-2-amido)phenyl]acetic acid |
| IUPAC Name | 2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetic acid |
| InChI | InChI=1S/C13H10BrNO4/c14-11-6-5-10(19-11)13(18)15-9-3-1-8(2-4-9)7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17) |
| InChI Key | GQNZKOPOHUCJOB-UHFFFAOYSA-N |
| MDL Number | MFCD03723335 |
| Molecular Formula | C13H10BrNO4 |
| Molecular Weight | 324.1268 |
| SMILES | OC(CC1=CC=C(NC(C2OC(Br)=CC=2)=O)C=C1)=O |
| Synonyms | 2-[4-(5-bromofuran-2-amido)phenyl]acetic acid,
692290-41-8,
2-{4-[(5-bromofuran-2-)amido]phenyl}acetic acid,
AC1MGS3E,
AC1Q74XZ,
CTK7J2299,
(4-{[(5-bromofuran-2-yl)carbonyl]amino}phenyl)acetic acid,
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetic Acid,
ZINC4953401,
STK276710,
AKOS000105250,
MCULE-1051457937,
NE17829,
EN300-43802,
SR-01000263471,
SR-01000263471-1,
{4-[(5-BROMO-2-FUROYL)AMINO]PHENYL}ACETIC ACID,
CID2940646,
|
| Complexity | 342 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.13g/mol |
| Monoisotopic Mass | 322.979g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number