bmse000673 2,5-dichlorophenol at BMRB

2,5-dichlorophenol

phenol, 2,5-dichloro-; 2,5-dichlorophenol; 3,6-dichlorophenol; 2,5-DCP; Phenol, 2,5-dichloro-; 2,5-Dichlorophenol

Molecular Formula: C6 H4 O Cl2
Natural Isotopic Abundance Mass: 163.00136
Mono-Isotopic Molecular Masses: C12N14: 161.9639201705; C13N14: 167.9840491973; C12N15: 161.9639201705; C13N15: 167.9840491973

2,5-dichlorophenol

InCHi String:
InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

canonical and isomeric SMILES:
C1=CC(=C(C=C1Cl)O)Cl

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,5-dichlorophenol

PubChem Substance (SID):   111677811   588865   36665524
PubChem Compound (CID):   66
KEGG: Compound ID   C06602
CAS Registry IDs:   583-78-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich D70007_ALDRICH   ChEBI CHEBI:27929   EPA DSSTox 32884   ZINC ZINC00388512   UM-BBD c0545   ChemSpider 15647380   NMRShiftDB 10015987   NIST Chemistry WebBook 1444501972   MMCD cq_03777   MDL MFCD00002174

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.