NCR

2-NITRO-P-CRESOL

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of NCR

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Chemical Component Summary

Name2-NITRO-P-CRESOL
Systematic Name (OpenEye OEToolkits)4-methyl-2-nitro-phenol
FormulaC7 H7 N O3
Molecular Weight153.135
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=[N+]([O-])c1cc(ccc1O)C
SMILESCACTVS3.341Cc1ccc(O)c(c1)[N+]([O-])=O
SMILESOpenEye OEToolkits1.5.0Cc1ccc(c(c1)[N+](=O)[O-])O
Canonical SMILESCACTVS3.341 Cc1ccc(O)c(c1)[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1ccc(c(c1)[N+](=O)[O-])O
InChIInChI1.03 InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
InChIKeyInChI1.03 SYDNSSSQVSOXTN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04110 
Name2-Nitro-4-cresol
Groups experimental
Synonyms
  • 2-Nitro-4-cresol
  • o-Nitro-p-cresol
  • 2-Nitro-4-methylphenol
  • 2-Nitro-P-cresol
Categories
  • Benzene Derivatives
  • Phenols
CAS number119-33-5

Related Resource References

Resource NameReference
PubChem 8391
ChEMBL CHEMBL1234658