| Formula |
C12H12ClFO4 |
| IUPAC Name |
2-[(2r,4r)-7-chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl]acetic acid |
| Molecular Mass |
274.673 g·mol−1 |
| Heat of Formation |
-950.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.43 ± 1.08 D |
| Volume |
289.54 Å 3 |
| Surface Area |
261.29 Å 2 |
| HOMO Energy |
-9.32 ± 0.55 eV |
| LUMO Energy |
-0.66 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(2r,4r)-7-chloro-6-fluoro-4-hydroxy-2-methyl-4-chromanyl]acetic acid
- 2-[(2r,4r)-7-chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl]acetic acid
- 2-[(2r,4r)-7-chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl]ethanoic acid
- 2-[(2r,4r)-7-chloro-6-fluoro-4-hydroxy-2-methylchroman-4-yl]acetic acid
|
| InChIKey |
BRXHBAFNICPNFH-SREIQFSDSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
F
O
Cl
|
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