539-80-0 Purity
97%
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Specification
The molecular formula of N-Boc-(4-chlorophenyl)glycine is C13H16ClNO4.
The molecular weight of N-Boc-(4-chlorophenyl)glycine is 285.72 g/mol.
The IUPAC name of N-Boc-(4-chlorophenyl)glycine is (2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
The InChI of N-Boc-(4-chlorophenyl)glycine is InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1.
The InChIKey of N-Boc-(4-chlorophenyl)glycine is ZZONJNNLTAGSHB-SNVBAGLBSA-N.
The canonical SMILES of N-Boc-(4-chlorophenyl)glycine is CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Cl)C(=O)O.
The isomeric SMILES of N-Boc-(4-chlorophenyl)glycine is CC(C)(C)OC(=O)N[C@H](C1=CC=C(C=C1)Cl)C(=O)O.
The CAS number of N-Boc-(4-chlorophenyl)glycine is 53994-85-7.
Yes, N-Boc-(4-chlorophenyl)glycine is a canonicalized compound.