| CAS Number | 16931-47-8 |
| Catalog Number | AG007UZM(AGN-PC-0WNX1L) |
| Chemical Name | 2-([Methyl(phenyl)amino]carbonyl)benzoic acid |
| IUPAC Name | 2-[methyl(phenyl)carbamoyl]benzoic acid |
| InChI | InChI=1S/C15H13NO3/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(18)19/h2-10H,1H3,(H,18,19) |
| InChI Key | VBCNWIPFKYOODC-UHFFFAOYSA-N |
| MDL Number | MFCD00612528 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | CN(C1=CC=CC=C1)C(C1=C(C(O)=O)C=CC=C1)=O |
| Synonyms | 16931-47-8,
2-[methyl(phenyl)carbamoyl]benzoic acid,
2-{[methyl(phenyl)amino]carbonyl}benzoic acid,
2-(Methyl(phenyl)carbamoyl)benzoic acid,
Benzoic acid,2-[(methylphenylamino)carbonyl]-,
2-[[METHYL(PHENYL)AMINO]CARBONYL]BENZOIC ACID,
AC1MYCAR,
AC1Q3VSB,
Oprea1_772756,
CTK4D3265,
DTXSID10397377,
ZINC3209443,
AKOS000263986,
MCULE-9947975522,
NE31588,
AJ-44767,
EN300-10791,
Z57127322,
CID3854465,
2-(methyl-phenyl-carbamoyl)benzoic Acid,
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| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number