bmse000729 2,3-difluorobenzyl alcohol at BMRB

2,3-difluorobenzyl alcohol

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

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

2,3-difluorobenzyl alcohol

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

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.