1H-Imidazole-1-propanol, 2-chloro-β-hydroxy-β-methyl-4-nitro-, 1-(4-nitrobenzoate), (βR)-

CAS Registry Number®

681490-95-9
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CAS Name

1H-Imidazole-1-propanol, 2-chloro-β-hydroxy-β-methyl-4-nitro-, 1-(4-nitrobenzoate), (βR)-

Molecular Formula

C14H13ClN4O7

Molecular Mass

384.73

Cite this Page

1H-Imidazole-1-propanol, 2-chloro-β-hydroxy-β-methyl-4-nitro-, 1-(4-nitrobenzoate), (βR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=681490-95-9 (retrieved 2024-09-06) (CAS RN: 681490-95-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H13ClN4O7/c1-14(21,7-17-6-11(19(24)25)16-13(17)15)8-26-12(20)9-2-4-10(5-3-9)18(22)23/h2-6,21H,7-8H2,1H3/t14-/m1/s1

InChIKey

InChIKey=WRIQRJXTNAPREP-CQSZACIVSA-N

SMILES

C([C@@](COC(=O)C1=CC=C(N(=O)=O)C=C1)(C)O)N2C=C(N(=O)=O)N=C2Cl

Canonical SMILES

O=C(OCC(O)(C)CN1C=C(N=C1Cl)N(=O)=O)C2=CC=C(C=C2)N(=O)=O

Other Names for this Substance

  • 1H-Imidazole-1-propanol, 2-chloro-β-hydroxy-β-methyl-4-nitro-, 1-(4-nitrobenzoate), (βR)-
  • 1,2-Propanediol, 3-(2-chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-, 1-(4-nitrobenzoate), (2R)-
  • (R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-hydroxy-2-methylpropyl 4-nitrobenzoate