Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6ClNO2
Heavy Atom Count
14
Molecular Weight
207.616
Exact Molecular Weight
207.0087
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.7694
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.8172    2.0227    0.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9711    0.7780   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2193    0.0985   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -1.1850   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5617   -1.4791   -0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -2.5497   -0.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9589   -0.2198   -0.1843 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198    0.0185    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    0.1141   -0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581    0.3440   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    0.4756    0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2378    0.3833    1.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    0.1519    1.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1910    0.0413    2.7227 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2018    0.5954   -0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7530   -1.9251   -0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754   -0.0043   -2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3118    0.4167   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1737    0.6585    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6205    0.4945    2.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers