Nicoclonate

CAS Registry Number®

10571-59-2
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CAS Name

Nicoclonate

Molecular Formula

C16H16ClNO2

Molecular Mass

289.76

Cite this Page

Nicoclonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10571-59-2 (retrieved 2024-05-21) (CAS RN: 10571-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    61 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3

InChIKey

InChIKey=XPPXHQUWVYMTDM-UHFFFAOYSA-N

SMILES

C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OC(C1=CC=C(Cl)C=C1)C(C)C)C=2C=NC=CC2

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 1-(4-chlorophenyl)-2-methylpropyl ester
  • Nicotinic acid, p-chloro-α-isopropylbenzyl ester
  • Nicoclonate
  • Nicoclonol

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