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
    4.7220   -0.5703    1.4156 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -0.1005    0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443    0.6374   -0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7286    0.7795   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2670    1.4228   -1.7636 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.0876    0.1835 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -0.4865    1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6099   -1.1935    2.1095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -0.0483    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -1.2353    0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167   -1.2773    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2115   -0.2001    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012    0.9390   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282    1.0455   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0062    1.0399   -1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895   -2.0383    0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8878   -2.2111    1.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2859   -0.3374    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    1.7717   -0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876    1.9754   -0.4630 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