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
    4.7429   -0.6557    1.2725 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2513   -0.3731    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1600   -0.1067   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7524    0.0550   -1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2321    0.3139   -2.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -0.1322   -0.0565 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9059   -0.4034    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050   -0.6283    2.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4616   -0.0475    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -1.1082    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358   -0.8930    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2212    0.3260    0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    1.3734   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    1.1896   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9835   -0.0218   -1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -2.1073    0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3103   -1.7224    0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965    0.4970    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848    2.3798   -0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877    2.0652   -0.4141 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