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
    4.6429    1.5715   -0.5187 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2331    0.5606   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201   -0.7275   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280   -1.1933   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106   -2.4022    0.1143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820   -0.0521   -0.1094 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8403    1.0465   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5504    2.2861   -0.4045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -0.0340   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110    1.1481   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5053    1.1727   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440    0.0584    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -1.1153    0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -1.1461    0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1028   -1.3767   -0.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534    2.0816   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.1051   -0.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3367    0.0882    0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1526   -1.9943    0.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -2.0771    0.5100 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