Formula |
C17H15ClFNO3 |
IUPAC Name |
methyl (2s)-2-(n-benzoyl-3-chloro-4-fluoro-anilino)propanoate |
Molecular Mass |
335.757 g·mol−1 |
Heat of Formation |
-566.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.50 ± 1.08 D |
Volume |
381.35 Å 3 |
Surface Area |
317.47 Å 2 |
HOMO Energy |
-9.83 ± 0.55 eV |
LUMO Energy |
-0.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[(3-chloro-4-fluorophenyl)-(oxo-phenylmethyl)amino]propanoic acid methyl ester
- (2s)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propionic acid methyl ester
- methyl (2s)-2-[(3-chloro-4-fluoro-phenyl)-phenylcarbonyl-amino]propanoate
- methyl (2s)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate
- methyl (2s)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate
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InChIKey |
RBNIGDFIUWJJEV-NSHDSACASA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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