1-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] butanedioate

CAS Registry Number®

13050-84-5
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CAS Name

1-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] butanedioate

Molecular Formula

C15H16Cl2N2O8

Molecular Mass

423.20

Cite this Page

1-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] butanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13050-84-5 (retrieved 2024-09-15) (CAS RN: 13050-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)

InChIKey

InChIKey=LIRCDOVJWUGTMW-UHFFFAOYSA-N

SMILES

C(C(O)C1=CC=C(N(=O)=O)C=C1)(NC(C(Cl)Cl)=O)COC(CCC(O)=O)=O

Canonical SMILES

O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Butanedioic acid, 1-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester
  • Succinic acid, α-monoester with 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
  • Succinic acid, α-ester with 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
  • Succinic acid, 2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)propyl ester
  • 1-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] butanedioate

Deleted or Replaced CAS Registry Numbers

98341-40-3