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
-1.3080 2.2512 -1.1118 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7905 1.1699 -0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2171 0.8408 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3137 -0.3770 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9861 -0.9082 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -2.0245 0.6592 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0248 0.0767 -0.1841 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4127 -0.0175 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0267 -1.2351 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3829 -1.3892 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 -0.2360 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 0.9910 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1726 1.1264 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8781 -0.2772 0.3350 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.0733 1.4334 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2209 -0.9425 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4579 -2.1518 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8961 -2.3344 -0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1021 1.9087 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6623 2.0954 0.1583 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