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
-1.6259 2.3064 -0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9470 1.1019 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3108 0.5717 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 -0.7272 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8773 -1.1191 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3881 -2.2670 0.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 0.0382 -0.1004 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3792 0.0568 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2024 0.4497 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5818 0.4395 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 0.0185 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3538 -0.3775 1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9775 -0.3683 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9258 0.0038 0.3532 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.2127 1.1478 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1169 -1.4191 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7505 0.7859 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2166 0.7599 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8390 -0.7059 2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3893 -0.6959 1.9826 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