Molecular Structure:
CAS No.:
201847-57-6
Product Name.:
CCD No.:CCD00075632
Formula:C13 H11 F3 N2 O3 . C2 H F3 O2
MolWeight:414.257
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| Product Name： | L-ALANINE 7-AMIDO-4-(TRIFLUOROMETHYL)COUMARIN, TRIFLUOROACETATE SALT |
| CAS： | 201847-57-6 |
| English Synonyms： | H-ALA-AFC TFA ; L-ALANINE 7-AMIDO-4-TRIFLUOROMETHYLCOUMARIN TRIFLUOROACETATE ; L-ALANINE 7-AMIDO-4-(TRIFLUOROMETHYL)COUMARIN, TRIFLUOROACETATE SALT ; H-ALA-AFC TRIFLUOROACETATE SALT |
| MDL Number.： | MFCD00151973 |
| H bond acceptor： | 5 |
| H bond donor： | 2 |
| Smile： | C[C@@H](C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F)N.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C13H11F3N2O3.C2HF3O2/c1-6(17)12(20)18-7-2-3-8-9(13(14,15)16)5-11(19)21-10(8)4-7;3-2(4,5)1(6)7/h2-6H,17H2,1H3,(H,18,20);(H,6,7)/t6-;/m0./s1 |
| InChiKey： | InChIKey=HAGLUJXYGFQWBT-RGMNGODLSA-N |
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