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
   -4.5508    0.8922   -1.6957 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1875    0.3463   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2677   -0.2910    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356   -0.5895    0.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6425   -1.1735    2.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -0.0919    0.0619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809    0.4906   -0.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971    1.0551   -2.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282   -0.0737    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1775   -0.8978   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5657   -0.8435   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2404    0.0309    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003    0.8582    0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    0.7886    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1977   -0.5469    0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283   -1.6047   -1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1785   -1.4816   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207    0.1233    0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    1.5577    1.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795    1.4512    1.5383 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