| CAS Number | 1339049-65-8 |
| Catalog Number | AG01BK3H |
| Chemical Name | 5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbenzoic acid |
| IUPAC Name | 5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid |
| InChI | InChI=1S/C23H19NO4/c1-14-10-11-15(12-20(14)22(25)26)24-23(27)28-13-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,24,27)(H,25,26) |
| InChI Key | FQZBTBMFMYGFTN-UHFFFAOYSA-N |
| MDL Number | MFCD17170599 |
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.4013 |
| SMILES | CC1=C(C(O)=O)C=C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=C1 |
| Synonyms | 5-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-METHYL-BENZOIC ACID,
1339049-65-8,
AKOS012963031,
5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylbenzoic acid,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.408g/mol |
| Monoisotopic Mass | 373.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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