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
    1.7886    2.0285    0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.7919    0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.1047    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682   -1.1849    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -1.4298    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638   -2.5416   -0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392   -0.1661    0.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4599    0.0655   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    0.8809   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.1584   -1.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1082    0.6051   -0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243   -0.2104    0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3815   -0.4837    0.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -1.4936    2.1167 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2168    0.5786    0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -1.9744    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1484    1.3127   -1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    1.7958   -2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573    0.8091   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416   -0.6466    1.3175 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