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
    4.8424    1.0088   -0.7241 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2884    0.2144   -0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0839   -1.0809   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695   -1.3639   -0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -2.4736    0.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -0.1160   -0.1242 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9676    0.8651   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7765    2.0951   -0.4765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    0.0506    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    0.0264   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553    0.1897   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    0.3825    0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300    0.4064    1.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914    0.2433    1.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527   -1.8438   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185   -0.1208   -2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3641    0.1790   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2557    0.5131    0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7739    0.5594    2.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341    0.2650    2.1425 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