| CAS Number | 261951-76-2 |
| Catalog Number | AG002S6M(AGN-PC-0WAO9U) |
| Chemical Name | 2-Amino-2-(3-fluoro-4-methylphenyl)acetic acid |
| IUPAC Name | 2-amino-2-(3-fluoro-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H10FNO2/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13) |
| InChI Key | SSVSYYUISCXCSO-UHFFFAOYSA-N |
| MDL Number | MFCD06247587 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | CC1=C(F)C=C(C(C(O)=O)N)C=C1 |
| Synonyms | 3-Fluoro-4-methyl-DL-phenylglycine,
261951-76-2,
2-amino-2-(3-fluoro-4-methylphenyl)acetic acid,
amino(3-fluoro-4-methylphenyl)acetic acid,
AC1MCOQ8,
DTXSID50379137,
JRD-1126,
MFCD06247587,
SBB090036,
AKOS012959465,
JS-4003,
Benzeneacetic acid, alpha-amino-3-fluoro-4-methyl-,
1213928-63-2,
CID2774627,
2-amino-2-(3-fluoro-4-methyl-phenyl)acetic Acid,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.182g/mol |
| Monoisotopic Mass | 183.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number