| CAS Number | 1270296-27-9 |
| Catalog Number | AG01DU61 |
| Chemical Name | (R)-2-(((Benzyloxy)carbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid |
| IUPAC Name | (2R)-3-(2,4-difluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C17H15F2NO4/c18-13-7-6-12(14(19)9-13)8-15(16(21)22)20-17(23)24-10-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,23)(H,21,22)/t15-/m1/s1 |
| InChI Key | LBVDADAIUVLMQO-OAHLLOKOSA-N |
| MDL Number | MFCD09841976 |
| Molecular Formula | C17H15F2NO4 |
| Molecular Weight | 335.3021 |
| SMILES | OC([C@H](NC(OCC1=CC=CC=C1)=O)CC1=C(F)C=C(F)C=C1)=O |
| Synonyms | Cbz-2,4-Difluoro-D-Phenylalanine,
(R)-2-(((Benzyloxy)carbonyl)amino)-3-(2,4-difluorophenyl)propanoic acid,
1270296-27-9,
ZINC91368808,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.307g/mol |
| Monoisotopic Mass | 335.097g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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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H302-H315-H320-H335
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Packing Group
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\N
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Precautionary statements
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P264-P270-P301+P312-P330
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UN Code
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\N
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Certificate of Analysis
Lot Number