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
    1.5089   -1.1633    2.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   -0.5258    1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436   -0.2406    0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2425    0.4419   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698    0.6443   -0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306    1.2393   -1.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    0.0300    0.0238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -0.0226    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742    1.1397   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5366    1.1633   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2222   -0.0135   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224   -1.1733    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -1.1833    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -2.6983    0.4505 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -0.5506    1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289    0.7849   -0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6161    2.0658   -0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284    2.1218   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3068    0.0328   -0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -2.0927    0.2933 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