| CAS Number | 467442-21-3 |
| Catalog Number | AG00DFJY(AGN-PC-0OAJY9) |
| Chemical Name | (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4,4-difluoro-butyric acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoic acid |
| InChI | InChI=1S/C19H17F2NO4/c20-17(21)9-16(18(23)24)22-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2,(H,22,25)(H,23,24)/t16-/m0/s1 |
| InChI Key | AYIZPDXXYIFMQC-INIZCTEOSA-N |
| MDL Number | MFCD06796145 |
| Molecular Formula | C19H17F2NO4 |
| Molecular Weight | 361.3394 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CC(F)F |
| Synonyms | 467442-21-3,
(S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4,4-DIFLUORO-BUTYRIC ACID,
C19H17F2NO4,
CTK4I9556,
4405AH,
MFCD06796145,
ZINC44831627,
AKOS027383458,
Fmoc-(S)-2-Amino-4,4-difluorobutyric acid,
Z-7625,
(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4,4-difluoro-butyric acid, AldrichCPR,
-2- -4,4-DIFLUORO-BUTYRICACID,
(2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-4,4-DIFLUOROBUTANOIC ACID,
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4,4-difluorobutanoic acid,
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| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.345g/mol |
| Monoisotopic Mass | 361.113g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number