Monomers
1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=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
-1.4576 -0.4552 -2.2701 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8521 -0.1909 -1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2435 -0.0483 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2454 0.2325 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8687 0.2889 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 0.5354 2.3050 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 0.0204 0.0143 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 -0.0342 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0870 -1.2356 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4588 -1.3000 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2506 -0.1762 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5816 1.0273 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2026 1.0951 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4088 2.6402 -0.2698 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.1211 -0.1515 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0826 0.4037 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 -2.1168 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9704 -2.2541 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3347 -0.1984 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2132 1.9177 -0.2003 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
13 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
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers