| CAS Number | 404848-39-1 |
| Catalog Number | AG019V7Y |
| Chemical Name | 2-(2-Iodobenzamido)benzoic acid |
| IUPAC Name | 2-[(2-iodobenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C14H10INO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,(H,16,17)(H,18,19) |
| InChI Key | HZSQWTHOHIYCNQ-UHFFFAOYSA-N |
| MDL Number | MFCD01159298 |
| Molecular Formula | C14H10INO3 |
| Molecular Weight | 367.1386 |
| SMILES | OC(C1=C(NC(C2=C(I)C=CC=C2)=O)C=CC=C1)=O |
| Synonyms | 2-(2-iodobenzamido)benzoic acid,
2-[(2-iodobenzene)amido]benzoic acid,
404848-39-1,
AC1Q72EH,
CTK7C3511,
STK295873,
ZINC13166099,
AKOS000131047,
MCULE-2289378841,
NE34100,
2-[(2-IODOBENZOYL)AMINO]BENZOIC ACID,
EN300-44019,
2-{[(2-iodophenyl)carbonyl]amino}benzoic acid,
Z85879467,
|
| 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 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number