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
    4.4544   -1.9474    1.0129 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -0.9480    0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2423    0.1064   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206    0.6615   -0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.6616   -1.2696 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523   -0.1368    0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978   -1.1529    0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578   -2.0734    1.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    0.0488    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037   -1.0115    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -0.7729    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1716    0.4958    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3408    1.5599    0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    1.3315    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1749    0.4719   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9462   -2.0259   -0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3186   -1.6235   -0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2444    0.6289    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7086    2.5658    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938    2.1601    0.4619 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