| CAS Number | 927801-54-5 |
| Catalog Number | AG00IHBP(AGN-PC-01MCE8) |
| Chemical Name | 2-(4-BOC-Aminophenyl)benzoic acid |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid |
| InChI | InChI=1S/C18H19NO4/c1-18(2,3)23-17(22)19-13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(20)21/h4-11H,1-3H3,(H,19,22)(H,20,21) |
| InChI Key | JBIUMLRUCHFEDE-UHFFFAOYSA-N |
| MDL Number | MFCD09055097 |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.3478 |
| SMILES | O=C(OC(C)(C)C)Nc1ccc(cc1)c1ccccc1C(=O)O |
| Synonyms | 927801-54-5,
4'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-2-carboxylic acid,
JBIUMLRUCHFEDE-UHFFFAOYSA-N,
5680AC,
ANW-74912,
ZINC40449476,
AX8243362,
TC-163657,
4-(tert-butoxycarbonylamino)phenylbenzoic acid,
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid,
C18H19NO4,
2-(4-BOC-Aminophenyl)benzoic acid,
AJ-103180,
4'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-2-carboxylicacid,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.131408g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.3g/mol |
| Monoisotopic Mass | 313.131408g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number