| CAS Number | 73323-82-7 |
| Catalog Number | AG019URV(AGN-PC-0NJNAT) |
| Chemical Name | 2-[Methyl(Phenyl)Amino]Benzoic Acid |
| IUPAC Name | 2-(N-methylanilino)benzoic acid |
| InChI | InChI=1S/C14H13NO2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17/h2-10H,1H3,(H,16,17) |
| InChI Key | RGHUOXSZSHFHAN-UHFFFAOYSA-N |
| MDL Number | MFCD00092890 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | CN(C1=C(C(O)=O)C=CC=C1)C1=CC=CC=C1 |
| Synonyms | 2-[methyl(phenyl)amino]benzoic acid,
73323-82-7,
2-(N-methyl-N-phenylamino)-benzoic acid,
methylphenylanthranilic acid,
AC1Q3X40,
SCHEMBL4249310,
2-(N-Methylanilino)benzoic acid,
CTK6H9944,
RGHUOXSZSHFHAN-UHFFFAOYSA-N,
ZINC20079776,
AKOS000260225,
MCULE-5566550346,
NE39330,
2-(N-methyl-N-phenylamino)benzoic acid,
EN300-42633,
Z444349618,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number