| CAS Number: 151590-26-0 3-(4-fluoro-1H-indol-3-yl)propanoic acid |
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| General Information | ||||||
| Product Number: 151590260
CAS Registry Number: 151590-26-0
Name:
1H-Indole-3-propanoic acid, 4-fluoro-
3-(4-Fluoro-1H-indol-3-yl)propanoic acid
Chemical Formula: C11H10FNO2
Exact Mass: 207.07
Molecular Weight: 207.20
m/z: 207.07 (100.0%), 208.07 (12.3%)
Elemental Analysis: C, 63.76; H, 4.86; F, 9.17; N, 6.76; O, 15.44
InChI: InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2
InChIKey: JCGHAEBIBSEQAD-UHFFFAOYSA-N
Canonical SMILES : C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013128465 A1 20130906. PCT Int. Appl. (2013), WO 2013111150 A1 20130801. |
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