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
1.5033 2.0665 0.9316 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8746 0.9713 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2592 0.5480 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2549 -0.6717 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 -1.0831 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4551 -2.1557 -0.9918 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9972 -0.0524 -0.0411 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 0.0023 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1279 0.4644 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 0.5204 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2523 0.1141 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5554 -0.3477 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1635 -0.4024 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3305 -1.0008 2.4843 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.1435 1.1131 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1453 -1.2303 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5766 0.7828 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0869 0.8775 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3438 0.1600 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1190 -0.6764 1.9382 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