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
   -1.4543    0.0740   -2.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480    0.1162   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370    0.2299   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391    0.2395    0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624    0.1346    1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653    0.1208    2.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806    0.0570    0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -0.0467    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721   -1.0086   -0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -1.1280   -0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -0.2819   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.6735    0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2369    0.7933    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780    2.0093    1.7387 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257    0.3060   -1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353    0.3123    1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4543   -1.6710   -1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9140   -1.8925   -1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217   -0.3867   -0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119    1.3493    1.2790 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