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
1.5221 -2.2492 0.6871 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 -1.0833 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2541 -0.6629 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2386 0.6047 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8704 1.0867 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4491 2.2073 -0.6384 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9814 -0.0046 0.0149 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4374 0.0033 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1432 0.6028 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5247 0.6263 1.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2582 0.0597 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 -0.5236 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1647 -0.5589 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 -1.3197 -2.3606 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.1460 -1.2686 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1000 1.2312 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 1.0370 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 1.1064 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3312 0.0749 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 -0.9698 -1.8087 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