| CAS Number | 173911-22-3 |
| Catalog Number | AG01EKV6(AGN-PC-0QAF93) |
| Chemical Name | 4'-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-[1,1'-biphenyl]-4-carboxylic acid |
| IUPAC Name | 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]benzoic acid |
| InChI | InChI=1S/C29H23NO4/c31-28(32)22-15-13-21(14-16-22)20-11-9-19(10-12-20)17-30-29(33)34-18-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-16,27H,17-18H2,(H,30,33)(H,31,32) |
| InChI Key | VAHNARUPBSQMJL-UHFFFAOYSA-N |
| MDL Number | MFCD31666546 |
| Molecular Formula | C29H23NO4 |
| Molecular Weight | 449.4972 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)O |
| Synonyms | SCHEMBL1855193,
VAHNARUPBSQMJL-UHFFFAOYSA-N,
n-fmoc-4-(4-carboxyphenyl)benzylamine,
4-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenyl}benzoic acid,
173911-22-3,
|
| Complexity | 672 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 449.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 449.506g/mol |
| Monoisotopic Mass | 449.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number