Monomers
1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(4-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FPZQYYXSOJSITC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
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
1.7694
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
-1.7441 2.0500 0.9139 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0084 0.9546 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 0.4411 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2103 -0.7248 -0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 -1.0676 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2699 -2.1025 -1.1303 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0341 0.0111 -0.0674 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3891 0.0573 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 -1.0117 0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 -0.9412 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1872 0.0886 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5037 1.1372 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1285 1.1120 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9464 0.0848 0.3875 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 0.9621 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0423 -1.3435 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4633 -1.8484 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9276 -1.7754 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0950 1.9739 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 1.9425 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
11 14 1 0
7 2 1 0
13 8 1 0
3 15 1 0
4 16 1 0
9 17 1 0
10 18 1 0
12 19 1 0
13 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers