CMDBS000005: 1-chloro-2,4-dinitrobenzene

Name
1-chloro-2,4-dinitrobenzene
Molecular Formula
C6H3ClN2O4
Molecular Weight
202.55
Exact Mass
201.978134
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
InChIKey
VYZAHLCBVHPDDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
Original Database
pubchem_6
Other Databases
NA
2D&3D Structure
Classification (data sourced from ClassyFire)
  • kingdom  Organic compounds
  •        superclass  Benzenoids
  •               class  Benzene and substituted derivatives
  •                      subclass  Nitrobenzenes
  •                                    direct_parent  Nitrobenzenes
Related Experimental Spectrum

CMDBM089118

CMDBM107137

Related predicted(in silico) Spectrum

positive

negative