Monomers

1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=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
    1.9076    1.7514   -1.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    0.7316   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    0.2023   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384   -0.8657    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881   -1.1060    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -2.0693    1.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091   -0.0803   -0.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843    0.0580   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2108   -1.0152    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -0.9099    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1495    0.3185   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3158    1.3894   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    1.2856   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8845    0.5205   -0.2658 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3388    0.5945   -0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779   -1.5073    1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453   -2.0114    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2316   -1.7915    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    2.3772   -0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782    2.1277   -0.5734 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
 11 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
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers