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
   -1.3600    2.2292   -1.0858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8129    1.1396   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2161    0.7467   -0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016   -0.4558    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9435   -0.9611    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837   -2.0826    0.8399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    0.0570   -0.0932 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3647    0.0187   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -1.1932    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4015   -1.2999    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.1560    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    1.0644    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464    1.1459    0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -0.2200    0.2454 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0953    1.3154   -0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2197   -0.9972    0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -2.1437   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -2.2936    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    1.9794    0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    2.1068    0.0118 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