Formula |
C13H14FNO7 |
IUPAC Name |
2-[2-(carboxymethoxy)-n-(carboxymethyl)-4-fluoro-5-methyl-anilino]acetic acid |
Molecular Mass |
315.251 g·mol−1 |
Heat of Formation |
-1387.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.52 ± 1.08 D |
Volume |
337.5 Å 3 |
Surface Area |
295.67 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
-0.51 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methyl-phenyl]amino]acetic acid
- 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methyl-phenyl]amino]ethanoic acid
- 2-[carboxymethyl-[2-(carboxymethyloxy)-4-fluoro-5-methylphenyl]amino]acetic acid
- 4,5-mf-aptra
- 4-methyl-5-fluoro-2-aminophenol-n,n,o-triacetate
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CAS Number(s) |
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InChIKey |
FHKUMSMYYZZFPK-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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