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
    1.5739    1.1635   -1.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8756    0.4852   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    0.1560   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   -0.5512    0.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988   -0.7599    1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -1.3777    2.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -0.0927    0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4144   -0.0029    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728   -1.1471    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744   -1.0852    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1910    0.1240   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543    1.2822   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    1.1924   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    2.6548   -0.2465 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    0.4685   -1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462   -0.9311    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956   -2.0990    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1858   -1.9720    0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2858    0.2344   -0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337    2.2579   -0.2863 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