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
    4.8435    0.8647    0.2819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    0.0565    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0865   -1.2185   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6376   -1.4339   -0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981   -2.5499   -0.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681   -0.1796    0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    0.7842    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    2.0222    0.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342    0.0553    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385   -0.9130   -0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -0.7012   -0.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1854    0.5275   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    1.5222    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666    1.2852    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -2.0143   -0.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184   -1.9150   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3476   -1.5335   -0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    0.7167   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956    2.4918    0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470    2.1326    0.6450 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