| CAS Number | 332121-90-1 |
| Catalog Number | AG00CPCV(AGN-PC-04Q6C0) |
| Chemical Name | Benzoic acid, 5-chloro-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- (9CI) |
| IUPAC Name | 5-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C22H16ClNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26) |
| InChI Key | GDUMTWJMHBPBQV-UHFFFAOYSA-N |
| MDL Number | MFCD02682159 |
| Molecular Formula | C22H16ClNO4 |
| Molecular Weight | 393.8197 |
| SMILES | OC(C1=C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)C=CC(Cl)=C1)=O |
| Synonyms | 332121-90-1,
2-(FMOC-AMINO)-5-CHLOROBENZOIC ACID,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-chlorobenzoic acid,
5-chloro-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoic acid,
SCHEMBL1157612,
ZINC2582913,
AKOS012712006,
AB12207,
AJ-43158,
SY016284,
TC-306872,
MFCD02682159 (95%),
Fmoc-2-amino-5-chlorobenzoic acid, AldrichCPR,
Benzoic acid, 5-chloro-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- (9CI),
Fmoc-2-amino-5-chlorobenzoic acid,
Benzoicacid,5-chloro-2-[[ carbonyl]amino]-,
63155-11-3,
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| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.823g/mol |
| Monoisotopic Mass | 393.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number