| CAS Number | 1305606-71-6 |
| Catalog Number | AG01BXFP |
| Chemical Name | 4-Benzamido-2-methylbenzoic acid |
| IUPAC Name | 4-benzamido-2-methylbenzoic acid |
| InChI | InChI=1S/C15H13NO3/c1-10-9-12(7-8-13(10)15(18)19)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19) |
| InChI Key | NVTQIHPWOLNVOJ-UHFFFAOYSA-N |
| MDL Number | MFCD16540666 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | CC1=C(C(O)=O)C=CC(NC(C2=CC=CC=C2)=O)=C1 |
| Synonyms | 4-benzamido-2-methylbenzoic acid,
1305606-71-6,
ZINC44749770,
AKOS011101760,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number