BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

2,3-difluorobenzyl Alcohol

2,3-difluorobenzyl Alcohol bmse000729 - Data

2_3_difluorobenzyl_alcohol synonyms

(2,3-Difluorophenyl)methanol; 2,3-Difluorobenzyl alcohol

Wikipedia:

Graphical representations:

2_3_difluorobenzyl_alcohol

View large 3D structure

Molecular Formula: C7H6OF2

Natural Isotopic Abundance Mass: 144.1187464

Mono-Isotopic Molecular Masses:

  • C12N14: 144.0386712147
  • C13N14: 151.0621550793
  • C12N15: 144.0386712147
  • C13N15: 151.0621550793

InChI string: InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

CAS Registry number: 75853-18-8
CAS Registry number: 75853-18-8
MMCD: cq_12867
NIST: 2230200929
PDB Compound ID: DFB
PubChem Compound (CID): 447153
Sigma-Aldrich: 290262_ALDRICH
ZINC: ZINC00409277

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)