| CAS Number | 887356-40-3 |
| Catalog Number | AG019V7U |
| Chemical Name | 3-(2-iodobenzamido)benzoic acid |
| IUPAC Name | 3-[(2-iodobenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C14H10INO3/c15-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(8-10)14(18)19/h1-8H,(H,16,17)(H,18,19) |
| InChI Key | QSKKCYPTWSCMFL-UHFFFAOYSA-N |
| MDL Number | MFCD02271077 |
| Molecular Formula | C14H10INO3 |
| Molecular Weight | 367.1386 |
| SMILES | OC(C1=CC(NC(C2=C(I)C=CC=C2)=O)=CC=C1)=O |
| Synonyms | 3-(2-iodobenzamido)benzoic acid,
887356-40-3,
3-[(2-iodobenzene)amido]benzoic acid,
AC1Q731F,
CTK7F8954,
ZINC4201474,
SBB004696,
AKOS000105024,
MCULE-2476108759,
NE20166,
3-[(2-iodophenyl)carbonylamino]benzoic acid,
3-[(2-IODOBENZOYL)AMINO]BENZOIC ACID,
EN300-44015,
Z85878049,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.142g/mol |
| Monoisotopic Mass | 366.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number