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
    1.6582   -1.1241    1.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -0.4655    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836   -0.1309    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832    0.5569   -0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7784    0.7214   -1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    1.3367   -2.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821    0.0695   -0.0948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4302   -0.0376   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908   -0.5203   -1.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5796   -0.6298   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478   -0.2483    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5014    0.2375    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206    0.3410    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922    0.9664    2.4525 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2270   -0.3884    0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    0.9464   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656   -0.8158   -1.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509   -1.0093   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3339   -0.3415    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342    0.5357    2.0755 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