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 synonyms

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

Wikipedia:

Graphical representations:

2,3-difluorobenzyl alcohol image

Molecular Formula: C7 H6 O F2

Natural Isotopic Abundance Mass: 144.1187464

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: C1=CC(=C(C(=C1)F)F)CO

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2,3-difluorophenyl)methanol

PubChem Substance (SID):   111677860   10392576   24857452
PubChem Compound (CID):   447153
KEGG: Compound ID   n/a
CAS Registry IDs:   75853-18-8
PDB Chemical Component   DFB
Miscellaneous Databases and IDs:   Sigma-Aldrich 290262_ALDRICH   ZINC ZINC00409277   NIST 2230200929   MMCD cq_12867   CAS 75853-18-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.