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
    4.6487    0.4361   -1.4943 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2041    0.0722   -0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2222   -0.5215    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389   -0.6467    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819   -1.1614    2.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9716   -0.0944    0.1513 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336    0.3681   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379    0.9251   -1.9774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    0.0418    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358   -0.7401   -0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018   -0.6791   -0.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250    0.1982   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5570    1.0041    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    0.9121    0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860   -0.8535    1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -1.4616   -1.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486   -1.2877   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2952    0.2596   -0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    1.7085    1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170    1.5201    1.5885 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