(1S,4S)-1,4-Bis(4-chloro-2-fluoro-5-nitrophenyl)-1,4-butanediol

CAS Registry Number®

1292836-20-4

CAS Name

(1S,4S)-1,4-Bis(4-chloro-2-fluoro-5-nitrophenyl)-1,4-butanediol

Molecular Formula

C16H12Cl2F2N2O6

Molecular Mass

437.18

Cite this Page

(1S,4S)-1,4-Bis(4-chloro-2-fluoro-5-nitrophenyl)-1,4-butanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1292836-20-4 (retrieved 2024-11-22) (CAS RN: 1292836-20-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H12Cl2F2N2O6/c17-9-5-11(19)7(3-13(9)21(25)26)15(23)1-2-16(24)8-4-14(22(27)28)10(18)6-12(8)20/h3-6,15-16,23-24H,1-2H2/t15-,16-/m0/s1

InChIKey

InChIKey=CAXZNRBDCSSKBX-HOTGVXAUSA-N

SMILES

[C@@H](CC[C@H](O)C1=CC(N(=O)=O)=C(Cl)C=C1F)(O)C2=CC(N(=O)=O)=C(Cl)C=C2F

Canonical SMILES

O=N(=O)C1=CC(=C(F)C=C1Cl)C(O)CCC(O)C=2C=C(C(Cl)=CC2F)N(=O)=O

Other Names for this Substance

  • 1,4-Butanediol, 1,4-bis(4-chloro-2-fluoro-5-nitrophenyl)-, (1S,4S)-
  • (1S,4S)-1,4-Bis(4-chloro-2-fluoro-5-nitrophenyl)-1,4-butanediol
  • (1S,4S)-1,4-Bis(4-chloro-2-fluoro-5-nitrophenyl)butane-1,4-diol

CAS INSIGHTSTM
Hourglass and a clock