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
    4.4711    0.4076    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.3469   -0.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2854   -0.2801   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902    0.5154    0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2241    0.5467    0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5194   -0.2103   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -1.0063   -0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780   -1.0440   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533   -0.1361   -0.1009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895   -1.1835   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989   -2.4216   -0.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888   -0.5585   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0939    0.7547   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    1.0823   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524    2.2404   -0.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4458    1.8993   -0.0485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0729    0.4693    1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    1.4481    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945   -0.0419    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210    1.1149    1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470    1.1727    1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -1.6225   -1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -1.6918   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1395   -1.1078   -0.0658 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