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
   -1.3327    0.1849    2.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8224    0.0767    1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    0.0162    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3246   -0.0982   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9895   -0.1199   -1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7076   -0.2172   -2.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631   -0.0091    0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3595    0.0154   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   -0.7601   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267   -0.7573   -1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867    0.0295   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5087    0.8085    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    0.8002    0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9409    0.0523   -0.2539 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0556    0.0568    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2404   -0.1678   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -1.3840   -1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967   -1.3863   -1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242    1.4295    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678    1.4299    1.5437 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