2-Fluoro-4-methyl-DL-phenylalanine - CAS 1259965-62-2
Catalog: |
BB064990 |
Product Name: |
2-Fluoro-4-methyl-DL-phenylalanine |
CAS: |
1259965-62-2 |
Synonyms: |
2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid; 2-Fluoro-4-methyl-DL-phenylalanine; (S)-2-Amino-3-(2-fluoro-4-methyl-phenyl)-propionic acid |
IUPAC Name: | 2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid |
Molecular Weight: | 197.21 |
Molecular Formula: | C10H12FNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)CC(C(=O)O)N)F |
InChI: | InChI=1S/C10H12FNO2/c1-6-2-3-7(8(11)4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14) |
InChI Key: | ZWMXOQFVRKESMD-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.08520679 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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