| CAS Number | 69145-57-9 |
| Catalog Number | AG019P4O |
| Chemical Name | 2-{[(propan-2-yl)carbamoyl]amino}benzoic acid |
| IUPAC Name | 2-(propan-2-ylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-7(2)12-11(16)13-9-6-4-3-5-8(9)10(14)15/h3-7H,1-2H3,(H,14,15)(H2,12,13,16) |
| InChI Key | LEBQZCAMYFCNFJ-UHFFFAOYSA-N |
| MDL Number | MFCD00248827 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CC(NC(NC1=C(C(O)=O)C=CC=C1)=O)C |
| Synonyms | 2-{[(propan-2-yl)carbamoyl]amino}benzoic acid,
69145-57-9,
N-isopropylcarbamoyl-anthranilic acid,
2-(propan-2-ylcarbamoylamino)benzoic Acid,
AC1NI37V,
SCHEMBL11337232,
HMS1789K13,
ZINC6939624,
AKOS009016298,
MCULE-9750368954,
NE30097,
Z94601199,
CID4799718,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number