bmse000691 2,4-dichlorophenol at BMRB

2,4-dichlorophenol

2,4-dichlorophenol potassium; 24-DICHLOROPHENOL; DCP; 2,4-Dichlorophenol; 2,4-dichlorophenol sodium; 2,4-dichlorophenol; 4,6-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

2,4-dichlorophenol

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

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,4-dichlorophenol

PubChem Substance (SID):   111677829   56310660   53788255
PubChem Compound (CID):   8449
KEGG: Compound ID   C004762
CAS Registry IDs:   120-83-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 105953_ALDRICH   EPA DSSTox 43005   Comparative Toxicogenomics Database C004762   MMCD cq_01602   MDL MFCD00002169

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.