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
    4.8132    0.7877    0.8222 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    0.0703    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365   -1.2183    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6118   -1.4048    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379   -2.5170   -0.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407   -0.1624    0.2221 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578    0.7973    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7738    2.0292    0.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4553    0.0668    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026   -0.2867   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629   -0.0493   -1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1702    0.5232   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4673    0.8637    1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1120    0.6418    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -2.0098    0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -0.7376   -1.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -0.3275   -2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2380    0.7095   -0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297    1.3089    1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725    0.9151    2.0811 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