BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2,2-bis(4-chlorophenyl)ethanol

Graphical representations:

2,2-bis(4-chlorophenyl)ethanol image

Molecular Formula: C14 H12 O Cl2

Natural Isotopic Abundance Mass: 267.15048

Mono-Isotopic Molecular Masses:

  • C12N14: 266.0265204273
  • C13N14: 280.0734881565
  • C12N15: 266.0265204273
  • C13N15: 280.0734881565

InCHi String: InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2

canonical and isomeric SMILES: C1=CC(=CC=C1C(CO)C2=CC=C(C=C2)Cl)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,2-bis(4-chlorophenyl)ethanol

PubChem Substance (SID):   111677809   8144352   24851327
PubChem Compound (CID):   17533
KEGG: Compound ID   C06639
CAS Registry IDs:   162011-90-7   2642-82-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 188883_ALDRICH   ChEBI CHEBI:28410   ZINC ZINC00056492   UM-BBD c0500   NIST Chemistry WebBook 1687202470   MMCD cq_03814   MDL MFCD00004728

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.