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
    4.6600    1.2777   -0.6535 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2253    0.3650   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642   -0.8436    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669   -1.2387    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3408   -2.3199    1.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509   -0.1959    0.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8656    0.7948   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    1.8963   -0.9118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4732   -0.0832    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919   -1.1532   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.9323   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1813    0.3128    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564    1.3779    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9991    1.1712    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -1.4106    0.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -2.1094   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3296   -1.7733   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2617    0.4710   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794    2.3747    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    2.0187    0.5159 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