| CAS Number: 165950-04-9 5-(((tert-butoxycarbonyl)amino)methyl)-2-chlorobenzoic acid |
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| General Information | ||||||
| Product Number: 165950049
CAS Registry Number: 165950-04-9
Name:
Benzoic acid, 2-chloro-5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
5-[[(tert-Butoxycarbonyl)amino]methyl]-2-chlorobenzoic acid
Chemical Formula: C13H16ClNO4
Exact Mass: 285.08
Molecular Weight: 285.72
m/z: 285.08 (100.0%), 287.07 (32.0%), 286.08 (14.4%), 288.08 (4.7%), 287.08 (1.8%)
Elemental Analysis: C, 54.65; H, 5.64; Cl, 12.41; N, 4.90; O, 22.40
InChI: InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10+,11+,12+/m0/s1
InChIKey: FBDICDJCXVZLIP-VSSNEEPJSA-N
Canonical SMILES : C1=C(N=CC(=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O
Isomeric SMILES: C1=C(N=CC(=N1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013118071 A1 20130815. PCT Int. Appl. (2013), WO 2013072825 A1 20130523. |
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