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
    4.8070    1.1087    0.5223 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2557    0.2687    0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698   -1.0253    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -1.2872    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076   -2.4266    0.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673   -0.0612    0.2145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864    0.9238    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    2.1386   -0.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4410    0.0763   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.7726    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -0.6803    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042    0.2831   -0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3262    1.1229   -1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    1.0263   -0.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552   -1.7451    0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558   -1.5312    1.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321   -1.3762    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660    0.3492   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    1.8984   -1.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    1.7097   -1.3564 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