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
    4.2630    0.5785   -2.2436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9377   -0.0315   -1.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023   -1.2415   -0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404   -1.4130   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2758   -2.4096    0.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8911   -0.2203   -0.1657 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994    0.6350   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782    1.7940   -1.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041    0.0488    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852   -0.9149    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6308   -0.6294    0.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450    0.6466    1.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    1.6182    1.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7336    1.3199    0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897   -1.9839   -0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391   -1.9083    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3857   -1.4134    1.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    0.8189    1.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1948    2.6273    1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    2.0783    0.7485 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