| CAS Number | 282734-37-6 |
| Catalog Number | AG00BGGK(AGN-PC-0R3TFI) |
| Chemical Name | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromopyridin-2-yl)propanoic acid |
| IUPAC Name | (2S)-3-(5-bromopyridin-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C23H19BrN2O4/c24-14-9-10-15(25-12-14)11-21(22(27)28)26-23(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20-21H,11,13H2,(H,26,29)(H,27,28)/t21-/m0/s1 |
| InChI Key | OKRYLAXLGQLYKG-NRFANRHFSA-N |
| MDL Number | MFCD11615774 |
| Molecular Formula | C23H19BrN2O4 |
| Molecular Weight | 467.3120 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CC1=NC=C(C=C1)Br |
| Synonyms | 282734-37-6,
(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(5-BROMOPYRIDIN-2-YL)PROPANOIC ACID,
CP-0129,
(2S)-3-(5-bromopyridin-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid,
2-PYRIDINEPROPANOIC ACID, 5-BROMO-.ALPHA.-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-, (.ALPHA.S)-,
2-PYRIDINEPROPANOIC ACID, 5-BROMO-.alpha.-[[(9H-FLUOREN-9-YLMETH,
|
| Complexity | 596 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.05282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 467.3g/mol |
| Monoisotopic Mass | 466.05282g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number