Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

341

Summary
Name:(3,5-difluorophenyl)methanol
Formula:C7 H6 F2 O
Formal charge:0
Formula weight:144.119 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3,5-difluorophenyl)methanol
OpenEye OEToolkits1.5.0(3,5-difluorophenyl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc(cc(F)c1)CO
SMILES_CANONICALCACTVS3.341OCc1cc(F)cc(F)c1
SMILESCACTVS3.341OCc1cc(F)cc(F)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(cc1F)F)CO
SMILESOpenEye OEToolkits1.5.0c1c(cc(cc1F)F)CO
InChIInChI1.03InChI=1S/C7H6F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKeyInChI1.03LOGIHEKXJKHXEC-UHFFFAOYSA-N

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon