Monomers

3-Chloro-1-phenylpyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-6H
InchI Key
ZKKDYLHSRWLPSP-UHFFFAOYSA-N
SMILES
ClC1=CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Isomeric SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=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
1.6825
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
    4.7611    0.5935   -1.2535 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.0395   -0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443   -0.8559    0.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522   -1.0138    0.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -1.7903    1.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -0.1337    0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    0.5267   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233    1.3997   -1.6891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392    0.0321    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.9547   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    1.1210   -0.7845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2205    0.3872    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566   -0.5411    0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647   -0.7036    0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680   -1.3961    0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    1.5938   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490    1.8531   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2940    0.5078    0.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2722   -1.1349    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996   -1.4396    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  3 15  1  0
 10 16  1  0
 11 17  1  0
 12 18  1  0
 13 19  1  0
 14 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers