Monomers
N-(4-Bromophenyl)maleimide
Identifiers
IUPAC name
1-(4-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
FECSFBYOMHWJQG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)Br
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Br
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H6BrNO2
Heavy Atom Count
14
Molecular Weight
252.067
Exact Molecular Weight
250.9582
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.8785
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
-1.9309 -1.8687 -0.7823 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0565 -0.7204 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3841 -0.1133 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1674 1.0738 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7354 1.3387 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2221 2.3813 1.0664 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0357 0.1830 0.1186 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3663 -0.0363 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8787 -1.2853 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2590 -1.5034 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1567 -0.4783 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6454 0.7729 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 0.9811 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 -0.7970 -0.0768 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.3405 -0.5945 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9681 1.7677 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -2.1728 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6744 -2.4955 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3377 1.5865 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9433 1.9805 0.4646 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