Monomers

3-Chloro-1-(4-methoxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H8ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-6H,1H3
InchI Key
YRFMWFLNFRIJGP-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=C(C1=O)Cl
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Isomeric SMILES
COC1=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
C11H8ClNO3
Heavy Atom Count
16
Molecular Weight
237.642
Exact Molecular Weight
237.0193
Valence Electrons
82
Radical Electrons
0
tPSA
46.61
MolLogP
1.6911
H Bond Acceptors
3
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

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.4987   -0.0405    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4995   -0.5615    1.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1763   -0.3926    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.8825    1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -0.7200    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337   -0.0775   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    0.4011   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8140    0.2499   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9021    0.0758   -0.4667 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -0.7227   -1.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410   -1.7326   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0364   -0.1692   -1.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    0.8936   -0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    1.0910   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    2.0224    0.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5631    1.8499   -0.3998 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2984    1.0238   -0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5977   -0.6364   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4867   -0.1025    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4347   -1.3962    2.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -1.1115    1.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318    0.9052   -1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268    0.6263   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344   -0.5933   -2.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
  8  3  1  0
 14  9  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  5 21  1  0
  7 22  1  0
  8 23  1  0
 12 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers