| CAS Number | 212651-52-0 |
| Catalog Number | AG00BCWD(AGN-PC-0O7U4S) |
| Chemical Name | Fmoc-beta-chloro-l-alanine |
| IUPAC Name | (2R)-3-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C18H16ClNO4/c19-9-16(17(21)22)20-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,23)(H,21,22)/t16-/m0/s1 |
| InChI Key | NICWPULFDZCIBU-INIZCTEOSA-N |
| MDL Number | MFCD00270534 |
| Molecular Formula | C18H16ClNO4 |
| Molecular Weight | 345.7769 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCl |
| Synonyms | Fmoc-beta-chloro-L-alanine,
212651-52-0,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-chloropropanoic acid,
(2R)-3-chloro-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,
FMOC-ALA(3-CL)-OH,
CTK6G5807,
ZINC2562521,
7225AD,
MFCD00270534,
AKOS015837250,
FCH3614526,
AK174627,
TR-061899,
J-013962,
C18H16ClNO4,
CID11100049,
(2S)-3-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
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| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.779g/mol |
| Monoisotopic Mass | 345.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number