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
   -1.9197    2.0461   -0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    0.8276   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059    0.1290    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863   -1.1367    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6431   -1.3511    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -2.4611    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0199   -0.1051    0.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874    0.0785   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8633    1.0242   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    1.2106   -0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882    0.4429   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -0.5234    0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2519   -0.6845    0.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    0.7006   -0.3379 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2750    0.6408   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -1.8691    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832    1.6367   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    1.9583   -1.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3175   -1.1145    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -1.4497    1.4272 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