| CAS Number | 2061996-82-3 |
| Catalog Number | AG01DDO1 |
| Chemical Name | (S)-Methyl 2-amino-2-(2,4-difluorophenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(2,4-difluorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H9F2NO2.ClH/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11;/h2-4,8H,12H2,1H3;1H |
| InChI Key | JGIXPMPFXKDMQH-UHFFFAOYSA-N |
| MDL Number | MFCD24412534 |
| Molecular Formula | C9H10ClF2NO2 |
| Molecular Weight | 237.6310 |
| SMILES | O=C(OC)[C@@H](N)C1=CC=C(F)C=C1F.[H]Cl |
| Synonyms | (S)-Methyl 2-amino-2-(2,4-difluorophenyl)acetate hydrochloride,
Methyl 2-amino-2-(2,4-difluorophenyl)acetate HCl,
2061996-82-3,
(R)-Methyl 2-amino-2-(2,4-difluorophenyl)acetate hydrochloride,
Methyl (2R)-2-amino-2-(2,4-difluorophenyl)acetate HCl,
MFCD30471569,
AKOS030529384,
AK552751,
AK607995,
(S)-METHYL 2-AMINO-2-(2,4-DIFLUOROPHENYL)ACETATE HCL,
methyl (2R)-2-amino-2-(2,4-difluorophenyl)acetate;hydrochloride,
methyl (2S)-2-amino-2-(2,4-difluorophenyl)acetate;hydrochloride,
1821174-65-5,
1958125-88-6,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.631g/mol |
| Monoisotopic Mass | 237.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number