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
-1.8818 -1.7292 -0.9853 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 -0.6745 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3519 -0.0650 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1384 1.0384 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 1.2427 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 2.2056 1.3919 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0238 0.1512 0.1676 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 -0.0763 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 -0.6844 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4570 -0.8883 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1205 -0.4665 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4168 0.1395 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0473 0.3318 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9960 -0.7342 -0.4016 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.3609 -0.4358 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8847 1.7365 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6220 -1.0233 1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0096 -1.3689 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8879 0.4795 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5201 0.8210 -1.8700 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